3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide

C24H22N2OS — CID 22513661

IUPAC3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(Sc2c(C(=O)NCCc3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2OS/c1-17-11-13-19(14-12-17)28-23-20-9-5-6-10-21(20)26-22(23)24(27)25-16-15-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3,(H,25,27)
InChIKeyRKBCOFXIFWCAQY-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.60
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide

3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 22513661) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID22513661
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(Sc2c(C(=O)NCCc3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2OS/c1-17-11-13-19(14-12-17)28-23-20-9-5-6-10-21(20)26-22(23)24(27)25-16-15-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3,(H,25,27)
InChIKeyRKBCOFXIFWCAQY-UHFFFAOYSA-N
XLogP5.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513700
3-(4-methylphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 22513671
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
N-phenyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67754049
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 113211551
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
1-[3-(4-bromophenyl)sulfanyl-1H-indol-2-yl]-2-methoxyethanone
CID 155421291
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 22513661) is 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide is Cc1ccc(Sc2c(C(=O)NCCc3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is RKBCOFXIFWCAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-17-11-13-19(14-12-17)28-23-20-9-5-6-10-21(20)26-22(23)24(27)25-16-15-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3,(H,25,27).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide?
3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 22513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).