(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C182H244N24O19S13 — CID 167688960

IUPAC(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(o2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.[H]N=S(=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1
InChIInChI=1S/3C26H38N4O2S2.C26H37N3O4S.3C26H31N3O3S2/c3*1-5-34(27,32)22-11-10-21(28-14-22)13-29-26(31)23-12-20-16-30(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19;4*1-5-34(31,32)22-11-10-21(27-14-22)13-28-26(30)23-12-20-16-29(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19/h3*10-12,14,17-19,24,27H,5-9,13,15-16H2,1-4H3,(H,29,31);10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30);3*6-12,14,17,24H,5,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-,34?;18?,19?,24-,34+;18?,19?,24-,34-;18?,19?,24-;2*24-;/m000010./s1
InChIKeyWQFLZFSYNLRTLP-DDXUYHNPSA-N
MW3488.97 g/mol
LogP36.91
Rot. Bonds56

About (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167688960) has the molecular formula C182H244N24O19S13 and a molecular weight of 3488.97 g/mol. Its IUPAC name is (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID167688960
Molecular FormulaC182H244N24O19S13
Molecular Weight3488.97 g/mol
Exact Mass3485.52
IUPAC Name(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(o2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.[H]N=S(=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1
InChIInChI=1S/3C26H38N4O2S2.C26H37N3O4S.3C26H31N3O3S2/c3*1-5-34(27,32)22-11-10-21(28-14-22)13-29-26(31)23-12-20-16-30(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19;4*1-5-34(31,32)22-11-10-21(27-14-22)13-28-26(30)23-12-20-16-29(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19/h3*10-12,14,17-19,24,27H,5-9,13,15-16H2,1-4H3,(H,29,31);10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30);3*6-12,14,17,24H,5,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-,34?;18?,19?,24-,34+;18?,19?,24-,34-;18?,19?,24-;2*24-;/m000010./s1
InChIKeyWQFLZFSYNLRTLP-DDXUYHNPSA-N
XLogP36.91
TPSA589.07 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds56
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003488.97
LogP ≤ 536.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 167688960) is (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(o2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C(C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(Cc2ccc(C)cc2)C3)nc1.[H]N=S(=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.[H]N=[S@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C)CC2)C3)nc1.
What is the InChIKey of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is WQFLZFSYNLRTLP-DDXUYHNPSA-N. The full InChI is InChI=1S/3C26H38N4O2S2.C26H37N3O4S.3C26H31N3O3S2/c3*1-5-34(27,32)22-11-10-21(28-14-22)13-29-26(31)23-12-20-16-30(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19;4*1-5-34(31,32)22-11-10-21(27-14-22)13-28-26(30)23-12-20-16-29(24(17(2)3)25(20)33-23)15-19-8-6-18(4)7-9-19/h3*10-12,14,17-19,24,27H,5-9,13,15-16H2,1-4H3,(H,29,31);10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30);3*6-12,14,17,24H,5,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-,34?;18?,19?,24-,34+;18?,19?,24-,34-;18?,19?,24-;2*24-;/m000010./s1.
What are the key properties of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 3488.97 g/mol, XLogP of 36.91, 56 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide;N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide;(6S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylphenyl)methyl]-6-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167688960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).