(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

C21H31N3O4S — CID 92705670

IUPAC(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C21H31N3O4S/c1-5-29(27,28)23-13-19(25)24(18-12-8-9-15(2)16(18)3)21(4,14-23)20(26)22-17-10-6-7-11-17/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3,(H,22,26)/t21-/m1/s1
InChIKeyPLDSSQJDRYHOKM-OAQYLSRUSA-N
MW421.56 g/mol
LogP2.12
Rot. Bonds5

About (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 92705670) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
PubChem CID92705670
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C21H31N3O4S/c1-5-29(27,28)23-13-19(25)24(18-12-8-9-15(2)16(18)3)21(4,14-23)20(26)22-17-10-6-7-11-17/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3,(H,22,26)/t21-/m1/s1
InChIKeyPLDSSQJDRYHOKM-OAQYLSRUSA-N
XLogP2.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-(benzenesulfonyl)-N-cycloheptyl-1-(2,3-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705712
(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
(2S)-N-cyclopentyl-1-(2-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742296
N-cyclooctyl-1-(2,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 20909385
N-cyclohexyl-1-(2,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 46275666
(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719871
4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide
CID 20909393
N-cycloheptyl-1-(4-ethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
CID 46275632
(2S)-N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92689339
N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 20886531
(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705694

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide (CID 92705670) is (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide is CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCC2)C1.
What is the InChIKey of (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is PLDSSQJDRYHOKM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-5-29(27,28)23-13-19(25)24(18-12-8-9-15(2)16(18)3)21(4,14-23)20(26)22-17-10-6-7-11-17/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 92705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).