(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate

C18H23N3O6S — CID 55378603

IUPAC(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
SMILESCC1CC(OC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C(=O)O1
InChIInChI=1S/C18H23N3O6S/c1-11-9-15(18(23)26-11)27-17(22)8-7-16-19-13-10-12(28(24,25)20(2)3)5-6-14(13)21(16)4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyUDPDPCAOLOPTSI-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.00
Rot. Bonds6

About (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate

(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate (PubChem CID 55378603) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
PubChem CID55378603
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
SMILESCC1CC(OC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C(=O)O1
InChIInChI=1S/C18H23N3O6S/c1-11-9-15(18(23)26-11)27-17(22)8-7-16-19-13-10-12(28(24,25)20(2)3)5-6-14(13)21(16)4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyUDPDPCAOLOPTSI-UHFFFAOYSA-N
XLogP1.00
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate 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

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42932368
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 55488665
N-(3,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 30878815
(3-methylcyclohexyl) 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 78770583
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate (CID 55378603) is (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate is CC1CC(OC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate?
The InChIKey is UDPDPCAOLOPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-11-9-15(18(23)26-11)27-17(22)8-7-16-19-13-10-12(28(24,25)20(2)3)5-6-14(13)21(16)4/h5-6,10-11,15H,7-9H2,1-4H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate?
(5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate has a molecular weight of 409.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate is sourced from PubChem (CID 55378603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).