3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide

C24H27ClN2OS — CID 92678873

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)[nH]c2c1
InChIInChI=1S/C24H27ClN2OS/c1-14-7-12-19-21(13-14)26-22(23(19)29-18-10-8-17(25)9-11-18)24(28)27-20-6-4-5-15(2)16(20)3/h7-13,15-16,20,26H,4-6H2,1-3H3,(H,27,28)/t15-,16+,20+/m0/s1
InChIKeyKHNJWDDPDAAQHF-RZQQEMMASA-N
MW427.01 g/mol
LogP6.84
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide

3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 92678873) has the molecular formula C24H27ClN2OS and a molecular weight of 427.01 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID92678873
Molecular FormulaC24H27ClN2OS
Molecular Weight427.01 g/mol
Exact Mass426.15
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)[nH]c2c1
InChIInChI=1S/C24H27ClN2OS/c1-14-7-12-19-21(13-14)26-22(23(19)29-18-10-8-17(25)9-11-18)24(28)27-20-6-4-5-15(2)16(20)3/h7-13,15-16,20,26H,4-6H2,1-3H3,(H,27,28)/t15-,16+,20+/m0/s1
InChIKeyKHNJWDDPDAAQHF-RZQQEMMASA-N
XLogP6.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.01
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 124772788
2-(4-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 22421378
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
CID 11897305
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]methanone
CID 22513721
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 124904699
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 124904700
3,6-dichloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 11913955
3-(4-chlorophenyl)sulfanyl-N-cyclohexyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54592070
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 10903684

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide (CID 92678873) is 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is KHNJWDDPDAAQHF-RZQQEMMASA-N. The full InChI is InChI=1S/C24H27ClN2OS/c1-14-7-12-19-21(13-14)26-22(23(19)29-18-10-8-17(25)9-11-18)24(28)27-20-6-4-5-15(2)16(20)3/h7-13,15-16,20,26H,4-6H2,1-3H3,(H,27,28)/t15-,16+,20+/m0/s1.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide?
3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 427.01 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 92678873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).