N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide

C16H16N2O3S — CID 71889496

IUPACN-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)9-8-17-16(19)15-10-13-12-5-3-2-4-11(12)6-7-14(13)18-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyMJHCLPHHDIUIES-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.10
Rot. Bonds4

About N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide

N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide (PubChem CID 71889496) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
PubChem CID71889496
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)9-8-17-16(19)15-10-13-12-5-3-2-4-11(12)6-7-14(13)18-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyMJHCLPHHDIUIES-UHFFFAOYSA-N
XLogP2.10
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
CID 111480381
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
3H-benzo[e]indole-2-carboxamide
CID 69052139
N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
CID 87019067
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide
CID 71891274
N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide
CID 51114733
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide (CID 71889496) is N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide is CS(=O)(=O)CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide?
The InChIKey is MJHCLPHHDIUIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-22(20,21)9-8-17-16(19)15-10-13-12-5-3-2-4-11(12)6-7-14(13)18-15/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide?
N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 71889496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).