3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide

C18H16N2O4S2 — CID 10178357

IUPAC3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-14-9-7-13(8-10-14)19-18(21)17-16(11-12-25-17)20-26(22,23)15-5-3-2-4-6-15/h2-12,20H,1H3,(H,19,21)
InChIKeyGHGXXXCTQZXYJJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.81
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide

3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 10178357) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID10178357
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-14-9-7-13(8-10-14)19-18(21)17-16(11-12-25-17)20-26(22,23)15-5-3-2-4-6-15/h2-12,20H,1H3,(H,19,21)
InChIKeyGHGXXXCTQZXYJJ-UHFFFAOYSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 70120492
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide (CID 10178357) is 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is GHGXXXCTQZXYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-24-14-9-7-13(8-10-14)19-18(21)17-16(11-12-25-17)20-26(22,23)15-5-3-2-4-6-15/h2-12,20H,1H3,(H,19,21).
What are the key properties of 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10178357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).