1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide

C17H16N2OS — CID 51053502

IUPAC1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
SMILESCSc1cccc(NC(=O)c2cccc3c2ccn3C)c1
InChIInChI=1S/C17H16N2OS/c1-19-10-9-14-15(7-4-8-16(14)19)17(20)18-12-5-3-6-13(11-12)21-2/h3-11H,1-2H3,(H,18,20)
InChIKeyOVTDDMDJFWTTOG-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.15
Rot. Bonds3

About 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide

1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide (PubChem CID 51053502) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
PubChem CID51053502
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
SMILESCSc1cccc(NC(=O)c2cccc3c2ccn3C)c1
InChIInChI=1S/C17H16N2OS/c1-19-10-9-14-15(7-4-8-16(14)19)17(20)18-12-5-3-6-13(11-12)21-2/h3-11H,1-2H3,(H,18,20)
InChIKeyOVTDDMDJFWTTOG-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
CID 30131737
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide (CID 51053502) is 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide is CSc1cccc(NC(=O)c2cccc3c2ccn3C)c1.
What is the InChIKey of 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide?
The InChIKey is OVTDDMDJFWTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-10-9-14-15(7-4-8-16(14)19)17(20)18-12-5-3-6-13(11-12)21-2/h3-11H,1-2H3,(H,18,20).
What are the key properties of 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide?
1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide is sourced from PubChem (CID 51053502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).