N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide

C22H21N3O5S — CID 18590134

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O5S/c1-15-6-8-16(9-7-15)21(26)25(14-17-5-4-12-30-17)31(28,29)18-10-11-19-20(13-18)24(3)22(27)23(19)2/h4-13H,14H2,1-3H3
InChIKeyVLFXJVPUGITPSI-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.81
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 18590134) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID18590134
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O5S/c1-15-6-8-16(9-7-15)21(26)25(14-17-5-4-12-30-17)31(28,29)18-10-11-19-20(13-18)24(3)22(27)23(19)2/h4-13H,14H2,1-3H3
InChIKeyVLFXJVPUGITPSI-UHFFFAOYSA-N
XLogP2.81
TPSA94.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide 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-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
CID 7574126
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide
CID 18560636
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(4-methylphenyl)acetamide
CID 19259500
2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 19259362
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]propanoyl chloride
CID 50894365
N-(furan-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 26711931
N-ethyl-N-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259616
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 18590134) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is VLFXJVPUGITPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-15-6-8-16(9-7-15)21(26)25(14-17-5-4-12-30-17)31(28,29)18-10-11-19-20(13-18)24(3)22(27)23(19)2/h4-13H,14H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 439.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 18590134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).