5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

C20H22N2O3S2 — CID 50810537

IUPAC5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)N(C)c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S2/c1-3-27(24,25)22(2)17-9-10-18-16(13-17)14-19(26-18)20(23)21-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyLYQQXOURCLNRBJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.66
Rot. Bonds7

About 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 50810537) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
PubChem CID50810537
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)N(C)c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S2/c1-3-27(24,25)22(2)17-9-10-18-16(13-17)14-19(26-18)20(23)21-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyLYQQXOURCLNRBJ-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 50810353
N-(3-methylbutyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810473
5-[(4-bromophenyl)sulfonyl-methylamino]-N-butyl-1-benzothiophene-2-carboxamide
CID 17246793
5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 50810295
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-propyl-1-benzothiophene-2-carboxamide
CID 92670479
N-(5-chloro-2-methoxyphenyl)-5-[ethylsulfonyl(methyl)amino]-1-benzothiophene-2-carboxamide
CID 50810479
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 17246801
5-[methyl(methylsulfonyl)amino]-N-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-benzothiophene-2-carboxamide
CID 100767111
N-benzyl-5-[ethyl(methylsulfonyl)amino]-N-methyl-1-benzothiophene-2-carboxamide
CID 50810660
5-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9402339
5-[benzenesulfonyl(methyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 50810511
5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810462

Frequently Asked Questions

What is the IUPAC name of 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide (CID 50810537) is 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide is CCS(=O)(=O)N(C)c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1.
What is the InChIKey of 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LYQQXOURCLNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-3-27(24,25)22(2)17-9-10-18-16(13-17)14-19(26-18)20(23)21-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide?
5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).