3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C21H23N5O4S — CID 26699059

IUPAC3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc2o1
InChIInChI=1S/C21H23N5O4S/c1-13-22-17-11-14(5-8-19(17)30-13)23-21(27)10-9-20-24-16-12-15(31(28,29)25(2)3)6-7-18(16)26(20)4/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)
InChIKeyHCCQDULAJSLYJR-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.84
Rot. Bonds6

About 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 26699059) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID26699059
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc2o1
InChIInChI=1S/C21H23N5O4S/c1-13-22-17-11-14(5-8-19(17)30-13)23-21(27)10-9-20-24-16-12-15(31(28,29)25(2)3)6-7-18(16)26(20)4/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)
InChIKeyHCCQDULAJSLYJR-UHFFFAOYSA-N
XLogP2.84
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N-(4-bromo-3-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580498
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
N-(3,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 30878815
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
CID 27889575
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864976
N,N,1-trimethyl-2-[3-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzimidazole-5-sulfonamide
CID 24642911
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
N-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 4816221

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 26699059) is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc2o1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HCCQDULAJSLYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-13-22-17-11-14(5-8-19(17)30-13)23-21(27)10-9-20-24-16-12-15(31(28,29)25(2)3)6-7-18(16)26(20)4/h5-8,11-12H,9-10H2,1-4H3,(H,23,27).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 441.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 26699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).