(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

C26H32FN3O5S — CID 92668157

IUPAC(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(F)c3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C26H32FN3O5S/c1-18-9-10-20(15-23(18)27)30-24(31)16-29(36(33,34)22-13-11-21(35-3)12-14-22)17-26(30,2)25(32)28-19-7-5-4-6-8-19/h9-15,19H,4-8,16-17H2,1-3H3,(H,28,32)/t26-/m1/s1
InChIKeyNARQAKXGQUNPKZ-AREMUKBSSA-N
MW517.62 g/mol
LogP3.39
Rot. Bonds6

About (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 92668157) has the molecular formula C26H32FN3O5S and a molecular weight of 517.62 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
PubChem CID92668157
Molecular FormulaC26H32FN3O5S
Molecular Weight517.62 g/mol
Exact Mass517.20
IUPAC Name(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(F)c3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C26H32FN3O5S/c1-18-9-10-20(15-23(18)27)30-24(31)16-29(36(33,34)22-13-11-21(35-3)12-14-22)17-26(30,2)25(32)28-19-7-5-4-6-8-19/h9-15,19H,4-8,16-17H2,1-3H3,(H,28,32)/t26-/m1/s1
InChIKeyNARQAKXGQUNPKZ-AREMUKBSSA-N
XLogP3.39
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.62
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 20886531
(2S)-N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide
CID 92705822
(2R)-4-(benzenesulfonyl)-N-cyclohexyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705741
(2R)-4-(benzenesulfonyl)-N-cycloheptyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705725
(2S)-N-cyclopentyl-1-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742272
(2S)-N-cyclohexyl-1-(4-methoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742423
(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92705620
N-cycloheptyl-1-(3-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275608
(2S)-N-cyclopentyl-1-(3-methoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742270
N-cyclooctyl-1-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909268
4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 20909426
4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide
CID 20909393

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide (CID 92668157) is (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(F)c3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is NARQAKXGQUNPKZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32FN3O5S/c1-18-9-10-20(15-23(18)27)30-24(31)16-29(36(33,34)22-13-11-21(35-3)12-14-22)17-26(30,2)25(32)28-19-7-5-4-6-8-19/h9-15,19H,4-8,16-17H2,1-3H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide?
(2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 517.62 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 92668157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).