1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde

C84H108F9N3O10S6 — CID 159000213

IUPAC1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde
SMILESCCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)C(C(C)C)NC3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.O=CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C28H36F3NO3S2.C20H25NO3S2.C8H11F3O/c2*1-4-37(34,35)25-11-7-19(8-12-25)13-23(33)15-24-14-21-17-32(26(18(2)3)27(21)36-24)16-20-5-9-22(10-6-20)28(29,30)31;1-4-26(23,24)18-7-5-14(6-8-18)9-16(22)11-17-10-15-12-21-19(13(2)3)20(15)25-17;9-8(10,11)7-3-1-6(5-12)2-4-7/h2*7-8,11-12,14,18,20,22,26H,4-6,9-10,13,15-17H2,1-3H3;5-8,10,13,19,21H,4,9,11-12H2,1-3H3;5-7H,1-4H2/t2*20?,22?,26-;;/m10../s1
InChIKeyJRGDNAZNPDBPOB-GIXPBSIBSA-N
MW1683.18 g/mol
LogP19.81
Rot. Bonds26

About 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde

1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde (PubChem CID 159000213) has the molecular formula C84H108F9N3O10S6 and a molecular weight of 1683.18 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde
PubChem CID159000213
Molecular FormulaC84H108F9N3O10S6
Molecular Weight1683.18 g/mol
Exact Mass1681.62
IUPAC Name1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde
SMILESCCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)C(C(C)C)NC3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.O=CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C28H36F3NO3S2.C20H25NO3S2.C8H11F3O/c2*1-4-37(34,35)25-11-7-19(8-12-25)13-23(33)15-24-14-21-17-32(26(18(2)3)27(21)36-24)16-20-5-9-22(10-6-20)28(29,30)31;1-4-26(23,24)18-7-5-14(6-8-18)9-16(22)11-17-10-15-12-21-19(13(2)3)20(15)25-17;9-8(10,11)7-3-1-6(5-12)2-4-7/h2*7-8,11-12,14,18,20,22,26H,4-6,9-10,13,15-17H2,1-3H3;5-8,10,13,19,21H,4,9,11-12H2,1-3H3;5-7H,1-4H2/t2*20?,22?,26-;;/m10../s1
InChIKeyJRGDNAZNPDBPOB-GIXPBSIBSA-N
XLogP19.81
TPSA189.21 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.18
LogP ≤ 519.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde (CID 159000213) is 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde is CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)C(C(C)C)NC3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.CCS(=O)(=O)c1ccc(CC(=O)Cc2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)cc1.O=CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde?
The InChIKey is JRGDNAZNPDBPOB-GIXPBSIBSA-N. The full InChI is InChI=1S/2C28H36F3NO3S2.C20H25NO3S2.C8H11F3O/c2*1-4-37(34,35)25-11-7-19(8-12-25)13-23(33)15-24-14-21-17-32(26(18(2)3)27(21)36-24)16-20-5-9-22(10-6-20)28(29,30)31;1-4-26(23,24)18-7-5-14(6-8-18)9-16(22)11-17-10-15-12-21-19(13(2)3)20(15)25-17;9-8(10,11)7-3-1-6(5-12)2-4-7/h2*7-8,11-12,14,18,20,22,26H,4-6,9-10,13,15-17H2,1-3H3;5-8,10,13,19,21H,4,9,11-12H2,1-3H3;5-7H,1-4H2/t2*20?,22?,26-;;/m10../s1.
What are the key properties of 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde?
1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde has a molecular weight of 1683.18 g/mol, XLogP of 19.81, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)-3-(6-propan-2-yl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6R)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;1-(4-ethylsulfonylphenyl)-3-[(6S)-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]propan-2-one;4-(trifluoromethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 159000213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).