[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C23H30N4O6S — CID 55926949

IUPAC[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCCn1c(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N4O6S/c1-6-11-27-18-10-9-16(34(30,31)26(4)5)13-17(18)24-20(27)14-33-23(29)21(15(2)3)25-22(28)19-8-7-12-32-19/h7-10,12-13,15,21H,6,11,14H2,1-5H3,(H,25,28)/t21-/m0/s1
InChIKeyIRIUEKQTJXCTMO-NRFANRHFSA-N
MW490.58 g/mol
LogP2.79
Rot. Bonds10

About [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 55926949) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID55926949
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCCn1c(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N4O6S/c1-6-11-27-18-10-9-16(34(30,31)26(4)5)13-17(18)24-20(27)14-33-23(29)21(15(2)3)25-22(28)19-8-7-12-32-19/h7-10,12-13,15,21H,6,11,14H2,1-5H3,(H,25,28)/t21-/m0/s1
InChIKeyIRIUEKQTJXCTMO-NRFANRHFSA-N
XLogP2.79
TPSA123.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate with MolForge

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Related Compounds

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55926521
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 27764250
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzamidopropanoate
CID 24684554
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl naphthalene-1-carboxylate
CID 46814027
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 45353541
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2,5-dichlorobenzoate
CID 46814003
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 5-methylthiophene-2-carboxylate
CID 46813798
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl cyclohex-3-ene-1-carboxylate
CID 46814865
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 5-chlorothiophene-2-carboxylate
CID 46814002
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 3-quinolin-2-ylpropanoate
CID 30025215
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 43028538
2-[(2-acetylphenoxy)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112819009

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 55926949) is [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CCCn1c(COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is IRIUEKQTJXCTMO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-6-11-27-18-10-9-16(34(30,31)26(4)5)13-17(18)24-20(27)14-33-23(29)21(15(2)3)25-22(28)19-8-7-12-32-19/h7-10,12-13,15,21H,6,11,14H2,1-5H3,(H,25,28)/t21-/m0/s1.
What are the key properties of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 490.58 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 55926949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).