N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide

C20H18N4O4S2 — CID 47076113

IUPACN-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C20H18N4O4S2/c1-12(25)21-13-6-8-17(28-2)19(11-13)30(26,27)24-14-5-7-15-16(10-14)23-20(22-15)18-4-3-9-29-18/h3-11,24H,1-2H3,(H,21,25)(H,22,23)
InChIKeyYRFGUDFTEXNHGF-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.06
Rot. Bonds6

About N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide

N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 47076113) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID47076113
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC NameN-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C20H18N4O4S2/c1-12(25)21-13-6-8-17(28-2)19(11-13)30(26,27)24-14-5-7-15-16(10-14)23-20(22-15)18-4-3-9-29-18/h3-11,24H,1-2H3,(H,21,25)(H,22,23)
InChIKeyYRFGUDFTEXNHGF-UHFFFAOYSA-N
XLogP4.06
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 60612606
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
CID 60587312
3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 52830653
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
(2Z)-3-chloro-5-methyl-2-prop-1-en-2-yl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)hexa-2,4-dienamide
CID 174278382
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)pyrrole-2-carboxamide
CID 52731849
N-[4-methoxy-3-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
CID 51699029
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide (CID 47076113) is N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1.
What is the InChIKey of N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is YRFGUDFTEXNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-12(25)21-13-6-8-17(28-2)19(11-13)30(26,27)24-14-5-7-15-16(10-14)23-20(22-15)18-4-3-9-29-18/h3-11,24H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide?
N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 47076113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).