(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide

C22H35N3O3S — CID 11932663

IUPAC(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C22H35N3O3S/c1-16-9-10-18(3)21(15-16)29(27,28)25-13-11-24(12-14-25)19(4)22(26)23-20-8-6-5-7-17(20)2/h9-10,15,17,19-20H,5-8,11-14H2,1-4H3,(H,23,26)/t17-,19-,20-/m0/s1
InChIKeySSFIZSALQKVCOI-IHPCNDPISA-N
MW421.61 g/mol
LogP2.69
Rot. Bonds5

About (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide

(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide (PubChem CID 11932663) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
PubChem CID11932663
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C22H35N3O3S/c1-16-9-10-18(3)21(15-16)29(27,28)25-13-11-24(12-14-25)19(4)22(26)23-20-8-6-5-7-17(20)2/h9-10,15,17,19-20H,5-8,11-14H2,1-4H3,(H,23,26)/t17-,19-,20-/m0/s1
InChIKeySSFIZSALQKVCOI-IHPCNDPISA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide with MolForge

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Related Compounds

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8749274
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 51242936
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11932566
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655742
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748651
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45354437
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46674705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide (CID 11932663) is (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide is Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1.
What is the InChIKey of (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is SSFIZSALQKVCOI-IHPCNDPISA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-16-9-10-18(3)21(15-16)29(27,28)25-13-11-24(12-14-25)19(4)22(26)23-20-8-6-5-7-17(20)2/h9-10,15,17,19-20H,5-8,11-14H2,1-4H3,(H,23,26)/t17-,19-,20-/m0/s1.
What are the key properties of (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 421.61 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 11932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).