N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide

C24H27N5O4S — CID 92888806

IUPACN-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C24H27N5O4S/c1-15(2)21(28-34(31,32)18-10-4-3-5-11-18)23-26-22(27-33-23)16-12-13-20-19(14-16)25-24(30)29(20)17-8-6-7-9-17/h3-5,10-15,17,21,28H,6-9H2,1-2H3,(H,25,30)/t21-/m1/s1
InChIKeyORJXFNHTOUGQPG-OAQYLSRUSA-N
MW481.58 g/mol
LogP4.17
Rot. Bonds7

About N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide

N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide (PubChem CID 92888806) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
PubChem CID92888806
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1
InChIInChI=1S/C24H27N5O4S/c1-15(2)21(28-34(31,32)18-10-4-3-5-11-18)23-26-22(27-33-23)16-12-13-20-19(14-16)25-24(30)29(20)17-8-6-7-9-17/h3-5,10-15,17,21,28H,6-9H2,1-2H3,(H,25,30)/t21-/m1/s1
InChIKeyORJXFNHTOUGQPG-OAQYLSRUSA-N
XLogP4.17
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 97043382
4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065731
4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065795
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
3-cyclopentyl-6-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065890
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
N-[5-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 53065857
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065864
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065745
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide?
The IUPAC name of N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide (CID 92888806) is N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide is CC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1.
What is the InChIKey of N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide?
The InChIKey is ORJXFNHTOUGQPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-15(2)21(28-34(31,32)18-10-4-3-5-11-18)23-26-22(27-33-23)16-12-13-20-19(14-16)25-24(30)29(20)17-8-6-7-9-17/h3-5,10-15,17,21,28H,6-9H2,1-2H3,(H,25,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide?
N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide has a molecular weight of 481.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 92888806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).