(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate

C23H28N4O5S — CID 32512230

IUPAC(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate
SMILESCCCCn1c(COC(=O)CCNC(=O)c2ccccc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N4O5S/c1-3-4-13-27-20-10-9-17(33(24,30)31)14-19(20)26-21(27)15-32-22(28)11-12-25-23(29)18-8-6-5-7-16(18)2/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyFNONLTDXERWQSA-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.66
Rot. Bonds10

About (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 32512230) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate
PubChem CID32512230
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate
SMILESCCCCn1c(COC(=O)CCNC(=O)c2ccccc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N4O5S/c1-3-4-13-27-20-10-9-17(33(24,30)31)14-19(20)26-21(27)15-32-22(28)11-12-25-23(29)18-8-6-5-7-16(18)2/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyFNONLTDXERWQSA-UHFFFAOYSA-N
XLogP2.66
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 43026046
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 40709893
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate
CID 18225646
2-[(2-bromophenoxy)methyl]-1-butylbenzimidazole-5-sulfonamide
CID 38895198
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1H-indazole-3-carboxylate
CID 29351454
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
CID 4780765
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
CID 18123005
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-4-nitrobenzoate
CID 29349929
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42918344
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281

Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate (CID 32512230) is (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate is CCCCn1c(COC(=O)CCNC(=O)c2ccccc2C)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is FNONLTDXERWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-3-4-13-27-20-10-9-17(33(24,30)31)14-19(20)26-21(27)15-32-22(28)11-12-25-23(29)18-8-6-5-7-16(18)2/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,25,29)(H2,24,30,31).
What are the key properties of (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate?
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 472.57 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 32512230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).