N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H16N4O4S — CID 87002434

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1S(N)(=O)=O
InChIInChI=1S/C16H16N4O4S/c1-10-6-7-11(8-14(10)25(17,23)24)18-15(21)9-20-13-5-3-2-4-12(13)19-16(20)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeyKOGSZXRTVWKVCW-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.92
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 87002434) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID87002434
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1S(N)(=O)=O
InChIInChI=1S/C16H16N4O4S/c1-10-6-7-11(8-14(10)25(17,23)24)18-15(21)9-20-13-5-3-2-4-12(13)19-16(20)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeyKOGSZXRTVWKVCW-UHFFFAOYSA-N
XLogP0.92
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195253
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824835
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 87002434) is N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is KOGSZXRTVWKVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10-6-7-11(8-14(10)25(17,23)24)18-15(21)9-20-13-5-3-2-4-12(13)19-16(20)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 87002434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).