N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C19H22N4O4S — CID 24555151

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc21
InChIInChI=1S/C19H22N4O4S/c1-4-22-16-7-5-6-8-17(16)23(19(22)25)13-18(24)20-14-9-11-15(12-10-14)28(26,27)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,24)
InChIKeyMRCOKFHWGDWRGT-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.71
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 24555151) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID24555151
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc21
InChIInChI=1S/C19H22N4O4S/c1-4-22-16-7-5-6-8-17(16)23(19(22)25)13-18(24)20-14-9-11-15(12-10-14)28(26,27)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,24)
InChIKeyMRCOKFHWGDWRGT-UHFFFAOYSA-N
XLogP1.71
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26196060
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30041609
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 24555151) is N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc21.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is MRCOKFHWGDWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-4-22-16-7-5-6-8-17(16)23(19(22)25)13-18(24)20-14-9-11-15(12-10-14)28(26,27)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 24555151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).