N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C23H22N4O3S2 — CID 4560229

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)19-12-8-9-17(15-19)24-22(28)16-31-23-25-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h3-15H,16H2,1-2H3,(H,24,28)
InChIKeyPXVDBMGPPPQNQV-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.01
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4560229) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4560229
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)19-12-8-9-17(15-19)24-22(28)16-31-23-25-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h3-15H,16H2,1-2H3,(H,24,28)
InChIKeyPXVDBMGPPPQNQV-UHFFFAOYSA-N
XLogP4.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505860
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26931379
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4882304
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9454413
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 4560229) is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is PXVDBMGPPPQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)19-12-8-9-17(15-19)24-22(28)16-31-23-25-20-13-6-7-14-21(20)27(23)18-10-4-3-5-11-18/h3-15H,16H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 466.59 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4560229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).