(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

C22H32FN3O4S — CID 92705694

IUPAC(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C22H32FN3O4S/c1-4-12-31(29,30)25-14-20(27)26(19-11-10-17(23)13-16(19)2)22(3,15-25)21(28)24-18-8-6-5-7-9-18/h10-11,13,18H,4-9,12,14-15H2,1-3H3,(H,24,28)/t22-/m1/s1
InChIKeyVEIUUMGNOGOFJN-JOCHJYFZSA-N
MW453.58 g/mol
LogP2.73
Rot. Bonds6

About (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (PubChem CID 92705694) has the molecular formula C22H32FN3O4S and a molecular weight of 453.58 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
PubChem CID92705694
Molecular FormulaC22H32FN3O4S
Molecular Weight453.58 g/mol
Exact Mass453.21
IUPAC Name(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C22H32FN3O4S/c1-4-12-31(29,30)25-14-20(27)26(19-11-10-17(23)13-16(19)2)22(3,15-25)21(28)24-18-8-6-5-7-9-18/h10-11,13,18H,4-9,12,14-15H2,1-3H3,(H,24,28)/t22-/m1/s1
InChIKeyVEIUUMGNOGOFJN-JOCHJYFZSA-N
XLogP2.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-1-(2,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 46275666
N-cyclooctyl-1-(2,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 20909385
N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275605
(2R)-N-cycloheptyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92722137
(2R)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92689366
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705690
4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 20909426
(2S)-N-cyclopentyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742415
(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742425
N-cycloheptyl-1-(2,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909262
(2R)-N-cyclohexyl-1-(2,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742369
(2S)-N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92689339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (CID 92705694) is (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is CCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The InChIKey is VEIUUMGNOGOFJN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32FN3O4S/c1-4-12-31(29,30)25-14-20(27)26(19-11-10-17(23)13-16(19)2)22(3,15-25)21(28)24-18-8-6-5-7-9-18/h10-11,13,18H,4-9,12,14-15H2,1-3H3,(H,24,28)/t22-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 92705694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).