2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide

C14H19N3O4S — CID 47052151

IUPAC2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide
SMILESCCCn1c(=O)[nH]c2cc(S(=O)(=O)NC(=O)C(C)C)ccc21
InChIInChI=1S/C14H19N3O4S/c1-4-7-17-12-6-5-10(8-11(12)15-14(17)19)22(20,21)16-13(18)9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyBTKIKUANMYULKG-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.20
Rot. Bonds5

About 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide

2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide (PubChem CID 47052151) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide
PubChem CID47052151
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide
SMILESCCCn1c(=O)[nH]c2cc(S(=O)(=O)NC(=O)C(C)C)ccc21
InChIInChI=1S/C14H19N3O4S/c1-4-7-17-12-6-5-10(8-11(12)15-14(17)19)22(20,21)16-13(18)9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyBTKIKUANMYULKG-UHFFFAOYSA-N
XLogP1.20
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065795
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314
2,4-dioxo-1-propylquinazoline-7-sulfonic acid
CID 22642133
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106336990
1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
1-dodecyl-2-sulfanylidene-3H-benzimidazole-5-sulfonic acid
CID 163933435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide (CID 47052151) is 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide is CCCn1c(=O)[nH]c2cc(S(=O)(=O)NC(=O)C(C)C)ccc21.
What is the InChIKey of 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide?
The InChIKey is BTKIKUANMYULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-7-17-12-6-5-10(8-11(12)15-14(17)19)22(20,21)16-13(18)9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide?
2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide has a molecular weight of 325.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxo-1-propyl-3H-benzimidazol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 47052151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).