(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C20H30FN3O3S — CID 8749274

IUPAC(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O3S/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)28(26,27)19-10-6-4-8-17(19)21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1
InChIKeyZRRRJILEWJIFEW-LZLYRXPVSA-N
MW411.54 g/mol
LogP2.22
Rot. Bonds5

About (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 8749274) has the molecular formula C20H30FN3O3S and a molecular weight of 411.54 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID8749274
Molecular FormulaC20H30FN3O3S
Molecular Weight411.54 g/mol
Exact Mass411.20
IUPAC Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O3S/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)28(26,27)19-10-6-4-8-17(19)21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1
InChIKeyZRRRJILEWJIFEW-LZLYRXPVSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
4-(2-fluorophenyl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CID 8745724
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11932663
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748651
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 8749274) is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is ZRRRJILEWJIFEW-LZLYRXPVSA-N. The full InChI is InChI=1S/C20H30FN3O3S/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)28(26,27)19-10-6-4-8-17(19)21/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1.
What are the key properties of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 411.54 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 8749274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).