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

C26H37N3O4S — CID 167702196

IUPAC(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[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
InChIInChI=1S/C26H37N3O4S/c1-5-34(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/h10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-/m1/s1
InChIKeyKJYXAQGEOFOOQR-RGELYXPASA-N
MW487.67 g/mol
LogP4.74
Rot. Bonds8

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

(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide (PubChem CID 167702196) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide
PubChem CID167702196
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[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
InChIInChI=1S/C26H37N3O4S/c1-5-34(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/h10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-/m1/s1
InChIKeyKJYXAQGEOFOOQR-RGELYXPASA-N
XLogP4.74
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide (CID 167702196) is (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[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.
What is the InChIKey of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide?
The InChIKey is KJYXAQGEOFOOQR-RGELYXPASA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-5-34(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/h10-12,14,17-19,24H,5-9,13,15-16H2,1-4H3,(H,28,30)/t18?,19?,24-/m1/s1.
What are the key properties of (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide?
(6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-5-[(4-methylcyclohexyl)methyl]-6-propan-2-yl-4,6-dihydrofuro[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167702196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).