2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide

C18H19N3O4S — CID 42792947

IUPAC2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-2-12-19-17(22)13-20-15-10-6-7-11-16(15)21(18(20)23)26(24,25)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)
InChIKeyDTKSPBYEASSNKM-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide

2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide (PubChem CID 42792947) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
PubChem CID42792947
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-2-12-19-17(22)13-20-15-10-6-7-11-16(15)21(18(20)23)26(24,25)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)
InChIKeyDTKSPBYEASSNKM-UHFFFAOYSA-N
XLogP1.57
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methylphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42792797
N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
CID 7296813
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 42792950
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide (CID 42792947) is 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide?
The InChIKey is DTKSPBYEASSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-2-12-19-17(22)13-20-15-10-6-7-11-16(15)21(18(20)23)26(24,25)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22).
What are the key properties of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide?
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide has a molecular weight of 373.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 42792947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).