N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide

C17H16N2OS — CID 171536191

IUPACN-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide
SMILESCSc1ccc(CNC(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C17H16N2OS/c1-21-15-8-6-13(7-9-15)12-18-17(20)19-11-10-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,18,20)
InChIKeyNSWBZZKAHDQRIL-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.12
Rot. Bonds3

About N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide

N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide (PubChem CID 171536191) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide
PubChem CID171536191
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide
SMILESCSc1ccc(CNC(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C17H16N2OS/c1-21-15-8-6-13(7-9-15)12-18-17(20)19-11-10-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,18,20)
InChIKeyNSWBZZKAHDQRIL-UHFFFAOYSA-N
XLogP4.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
CID 171536234
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
CID 171536240
N-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]indole-1-carboxamide
CID 171536260
N-(2-fluoroethyl)indole-1-carboxamide
CID 141052134
4-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxamide
CID 119070259
(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 46325021
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
CID 118001743
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115180561
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
1-indol-1-ylethanone;hydrochloride
CID 21333501

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide (CID 171536191) is N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide is CSc1ccc(CNC(=O)n2ccc3ccccc32)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide?
The InChIKey is NSWBZZKAHDQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-21-15-8-6-13(7-9-15)12-18-17(20)19-11-10-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide is sourced from PubChem (CID 171536191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).