(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

C23H35N3O6S — CID 92742425

IUPAC(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(OC)cc2OC)[C@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H35N3O6S/c1-5-13-33(29,30)25-15-21(27)26(19-12-11-18(31-3)14-20(19)32-4)23(2,16-25)22(28)24-17-9-7-6-8-10-17/h11-12,14,17H,5-10,13,15-16H2,1-4H3,(H,24,28)/t23-/m0/s1
InChIKeyDEPRQHOOFBYWLD-QHCPKHFHSA-N
MW481.62 g/mol
LogP2.30
Rot. Bonds8

About (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (PubChem CID 92742425) has the molecular formula C23H35N3O6S and a molecular weight of 481.62 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
PubChem CID92742425
Molecular FormulaC23H35N3O6S
Molecular Weight481.62 g/mol
Exact Mass481.22
IUPAC Name(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(OC)cc2OC)[C@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H35N3O6S/c1-5-13-33(29,30)25-15-21(27)26(19-12-11-18(31-3)14-20(19)32-4)23(2,16-25)22(28)24-17-9-7-6-8-10-17/h11-12,14,17H,5-10,13,15-16H2,1-4H3,(H,24,28)/t23-/m0/s1
InChIKeyDEPRQHOOFBYWLD-QHCPKHFHSA-N
XLogP2.30
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclohexyl-1-(4-methoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742423
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
(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705694
(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-(3,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742415
(2R)-1-(4-chlorophenyl)-N-cyclohexyl-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705680
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705690
1-(4-acetamidophenyl)-N-cyclohexyl-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 11397430
N-cyclooctyl-1-(2-methoxy-5-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909301
N-cycloheptyl-1-(3-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275608

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (CID 92742425) is (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is CCCS(=O)(=O)N1CC(=O)N(c2ccc(OC)cc2OC)[C@](C)(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The InChIKey is DEPRQHOOFBYWLD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H35N3O6S/c1-5-13-33(29,30)25-15-21(27)26(19-12-11-18(31-3)14-20(19)32-4)23(2,16-25)22(28)24-17-9-7-6-8-10-17/h11-12,14,17H,5-10,13,15-16H2,1-4H3,(H,24,28)/t23-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
(2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-(2,4-dimethoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 92742425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).