N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide

C17H15NO3S2 — CID 42022646

IUPACN-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H15NO3S2/c1-2-23(20,21)14-9-7-13(8-10-14)18-17(19)16-11-12-5-3-4-6-15(12)22-16/h3-11H,2H2,1H3,(H,18,19)
InChIKeyWRACWAKNJKBHGM-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.95
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide

N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 42022646) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID42022646
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC NameN-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H15NO3S2/c1-2-23(20,21)14-9-7-13(8-10-14)18-17(19)16-11-12-5-3-4-6-15(12)22-16/h3-11H,2H2,1H3,(H,18,19)
InChIKeyWRACWAKNJKBHGM-UHFFFAOYSA-N
XLogP3.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359
(2S)-2-[[4-[4-(1-benzothiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11341167
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 32999319
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-1-benzothiophene-2-carboxamide
CID 89237200

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide (CID 42022646) is N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WRACWAKNJKBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-2-23(20,21)14-9-7-13(8-10-14)18-17(19)16-11-12-5-3-4-6-15(12)22-16/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42022646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).