3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide

C18H14N4O3S2 — CID 70120492

IUPAC3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14N4O3S2/c23-17(21-18-19-13-8-4-5-9-14(13)20-18)16-15(10-11-26-16)22-27(24,25)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23)
InChIKeyFNLOWFNDLGOIMP-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.68
Rot. Bonds5

About 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide

3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 70120492) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID70120492
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC Name3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14N4O3S2/c23-17(21-18-19-13-8-4-5-9-14(13)20-18)16-15(10-11-26-16)22-27(24,25)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23)
InChIKeyFNLOWFNDLGOIMP-UHFFFAOYSA-N
XLogP3.68
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 70677565
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide (CID 70120492) is 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is FNLOWFNDLGOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c23-17(21-18-19-13-8-4-5-9-14(13)20-18)16-15(10-11-26-16)22-27(24,25)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23).
What are the key properties of 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70120492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).