N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide

C16H14N2OS — CID 39709233

IUPACN-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H14N2OS/c1-20-14-4-2-3-13(10-14)18-16(19)12-6-5-11-7-8-17-15(11)9-12/h2-10,17H,1H3,(H,18,19)
InChIKeyKAUDBWPKAQZNCL-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.14
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide

N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide (PubChem CID 39709233) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
PubChem CID39709233
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H14N2OS/c1-20-14-4-2-3-13(10-14)18-16(19)12-6-5-11-7-8-17-15(11)9-12/h2-10,17H,1H3,(H,18,19)
InChIKeyKAUDBWPKAQZNCL-UHFFFAOYSA-N
XLogP4.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
CID 167796814
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913097
2-chloro-N-(3-methylsulfanylphenyl)quinoline-6-carboxamide
CID 55731147
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide (CID 39709233) is N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide is CSc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide?
The InChIKey is KAUDBWPKAQZNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-20-14-4-2-3-13(10-14)18-16(19)12-6-5-11-7-8-17-15(11)9-12/h2-10,17H,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide?
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 39709233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).