7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C20H18N4O4S2 — CID 44628153

IUPAC7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)cc1
InChIInChI=1S/C20H18N4O4S2/c21-30(27,28)13-5-3-12(4-6-13)9-10-22-20(26)14-7-8-15(25)18-17(14)23-19(24-18)16-2-1-11-29-16/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H2,21,27,28)
InChIKeyFLPCFXRGUFUVHJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.62
Rot. Bonds6

About 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 44628153) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID44628153
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)cc1
InChIInChI=1S/C20H18N4O4S2/c21-30(27,28)13-5-3-12(4-6-13)9-10-22-20(26)14-7-8-15(25)18-17(14)23-19(24-18)16-2-1-11-29-16/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H2,21,27,28)
InChIKeyFLPCFXRGUFUVHJ-UHFFFAOYSA-N
XLogP2.62
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-3-oxopropyl]benzenesulfonamide
CID 58381383
2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
CID 143935625
7-hydroxy-N-[2-(4-methylanilino)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 67084259
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
7-hydroxy-2-thiophen-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1H-benzimidazole-4-carboxamide
CID 44628456
7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 46191079
N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
CID 58381422
7-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628621
N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270177
N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide
CID 44628377
2-benzyl-7-hydroxy-N-[2-(4-nitrophenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 57398403
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
CID 2271589

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 44628153) is 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)cc1.
What is the InChIKey of 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is FLPCFXRGUFUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c21-30(27,28)13-5-3-12(4-6-13)9-10-22-20(26)14-7-8-15(25)18-17(14)23-19(24-18)16-2-1-11-29-16/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H2,21,27,28).
What are the key properties of 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44628153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).