N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide

C17H16N2OS — CID 86930444

IUPACN-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyMARDMBSTMRRCHU-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.45
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide

N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide (PubChem CID 86930444) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
PubChem CID86930444
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyMARDMBSTMRRCHU-UHFFFAOYSA-N
XLogP4.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46467596
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
CID 110695121
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 51125607
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
2-fluoro-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzamide
CID 86929101

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide (CID 86930444) is N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide?
The InChIKey is MARDMBSTMRRCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide?
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide has a molecular weight of 296.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 86930444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).