[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C23H28N4O6S — CID 45353541

IUPAC[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCCn1c(COC(=O)C2CC(=O)N(Cc3ccco3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H28N4O6S/c1-4-9-27-20-8-7-18(34(30,31)25(2)3)12-19(20)24-21(27)15-33-23(29)16-11-22(28)26(13-16)14-17-6-5-10-32-17/h5-8,10,12,16H,4,9,11,13-15H2,1-3H3
InChIKeyBRNUBYLOUYUKHU-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.38
Rot. Bonds9

About [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 45353541) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID45353541
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Name[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCCn1c(COC(=O)C2CC(=O)N(Cc3ccco3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H28N4O6S/c1-4-9-27-20-8-7-18(34(30,31)25(2)3)12-19(20)24-21(27)15-33-23(29)16-11-22(28)26(13-16)14-17-6-5-10-32-17/h5-8,10,12,16H,4,9,11,13-15H2,1-3H3
InChIKeyBRNUBYLOUYUKHU-UHFFFAOYSA-N
XLogP2.38
TPSA114.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 41082910
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl cyclohex-3-ene-1-carboxylate
CID 46814865
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 39903491
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55926949
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl naphthalene-1-carboxylate
CID 46814027
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 30593045
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 43028538
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-chloropyridine-4-carboxylate
CID 46660278
[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
(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27210193

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 45353541) is [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is CCCn1c(COC(=O)C2CC(=O)N(Cc3ccco3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BRNUBYLOUYUKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-4-9-27-20-8-7-18(34(30,31)25(2)3)12-19(20)24-21(27)15-33-23(29)16-11-22(28)26(13-16)14-17-6-5-10-32-17/h5-8,10,12,16H,4,9,11,13-15H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 488.57 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 45353541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).