N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C20H19N5O3S2 — CID 41388137

IUPACN-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C20H19N5O3S2/c21-30(27,28)12-15-7-5-14(6-8-15)9-22-19(26)10-25-18-4-2-1-3-16(18)24-20(25)17-11-29-13-23-17/h1-8,11,13H,9-10,12H2,(H,22,26)(H2,21,27,28)
InChIKeyRDXCCCFGEQAHBE-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.26
Rot. Bonds7

About N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 41388137) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID41388137
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC NameN-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C20H19N5O3S2/c21-30(27,28)12-15-7-5-14(6-8-15)9-22-19(26)10-25-18-4-2-1-3-16(18)24-20(25)17-11-29-13-23-17/h1-8,11,13H,9-10,12H2,(H,22,26)(H2,21,27,28)
InChIKeyRDXCCCFGEQAHBE-UHFFFAOYSA-N
XLogP2.26
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9291962
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9459935
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 1338238
N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513923
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 99776473
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769405
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 40718245
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143

Frequently Asked Questions

What is the IUPAC name of N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 41388137) is N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is NS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is RDXCCCFGEQAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c21-30(27,28)12-15-7-5-14(6-8-15)9-22-19(26)10-25-18-4-2-1-3-16(18)24-20(25)17-11-29-13-23-17/h1-8,11,13H,9-10,12H2,(H,22,26)(H2,21,27,28).
What are the key properties of N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 41388137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).