4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

C24H28FN3O4S — CID 20909426

IUPAC4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCc1cc(F)ccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H28FN3O4S/c1-17-14-18(25)12-13-21(17)28-22(29)15-27(33(31,32)20-10-4-3-5-11-20)16-24(28,2)23(30)26-19-8-6-7-9-19/h3-5,10-14,19H,6-9,15-16H2,1-2H3,(H,26,30)
InChIKeyJKYHXRSNMQZCRN-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.99
Rot. Bonds5

About 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 20909426) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
PubChem CID20909426
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCc1cc(F)ccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H28FN3O4S/c1-17-14-18(25)12-13-21(17)28-22(29)15-27(33(31,32)20-10-4-3-5-11-20)16-24(28,2)23(30)26-19-8-6-7-9-19/h3-5,10-14,19H,6-9,15-16H2,1-2H3,(H,26,30)
InChIKeyJKYHXRSNMQZCRN-UHFFFAOYSA-N
XLogP2.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide
CID 20909393
N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275605
(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705694
(2S)-4-(benzenesulfonyl)-N-cycloheptyl-1-(2,3-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705712
(2R)-4-(benzenesulfonyl)-N-cycloheptyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705725
(2R)-4-(benzenesulfonyl)-N-cyclohexyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705741
(2R)-N-cyclohexyl-1-(2,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92742369
N-cycloheptyl-1-(2,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909262
(2S)-N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide
CID 92705822
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-cycloheptyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92722137

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide (CID 20909426) is 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide is Cc1cc(F)ccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is JKYHXRSNMQZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-17-14-18(25)12-13-21(17)28-22(29)15-27(33(31,32)20-10-4-3-5-11-20)16-24(28,2)23(30)26-19-8-6-7-9-19/h3-5,10-14,19H,6-9,15-16H2,1-2H3,(H,26,30).
What are the key properties of 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-cyclopentyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 20909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).