N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide

C18H17NO4S2 — CID 3162269

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(OC)c(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C18H17NO4S2/c1-3-25(21,22)12-8-9-16(23-2)15(10-12)19-18(20)14-11-24-17-7-5-4-6-13(14)17/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyRYHOFIFAYBQDDU-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.96
Rot. Bonds5

About N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide

N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 3162269) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide
PubChem CID3162269
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(OC)c(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C18H17NO4S2/c1-3-25(21,22)12-8-9-16(23-2)15(10-12)19-18(20)14-11-24-17-7-5-4-6-13(14)17/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyRYHOFIFAYBQDDU-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 7295239
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
2-[4-(1-benzothiophene-3-carbonylamino)-2-(3-fluoro-4-methoxybenzoyl)anilino]-2-oxoacetic acid
CID 70687505
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 4216551
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide (CID 3162269) is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide is CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2csc3ccccc23)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is RYHOFIFAYBQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c1-3-25(21,22)12-8-9-16(23-2)15(10-12)19-18(20)14-11-24-17-7-5-4-6-13(14)17/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide?
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).