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

C22H33N3O3S — CID 8748651

IUPAC(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-18-8-6-7-11-21(18)23-22(26)19(2)24-13-15-25(16-14-24)29(27,28)17-12-20-9-4-3-5-10-20/h3-5,9-10,12,17-19,21H,6-8,11,13-16H2,1-2H3,(H,23,26)/b17-12+/t18-,19+,21+/m0/s1
InChIKeyMFIGCFVTPHLCMK-SDLCHCISSA-N
MW419.59 g/mol
LogP2.69
Rot. Bonds6

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

(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 8748651) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID8748651
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-18-8-6-7-11-21(18)23-22(26)19(2)24-13-15-25(16-14-24)29(27,28)17-12-20-9-4-3-5-10-20/h3-5,9-10,12,17-19,21H,6-8,11,13-16H2,1-2H3,(H,23,26)/b17-12+/t18-,19+,21+/m0/s1
InChIKeyMFIGCFVTPHLCMK-SDLCHCISSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748653
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8749274
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11932663
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689455
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 99005028
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (CID 8748651) is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is MFIGCFVTPHLCMK-SDLCHCISSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-18-8-6-7-11-21(18)23-22(26)19(2)24-13-15-25(16-14-24)29(27,28)17-12-20-9-4-3-5-10-20/h3-5,9-10,12,17-19,21H,6-8,11,13-16H2,1-2H3,(H,23,26)/b17-12+/t18-,19+,21+/m0/s1.
What are the key properties of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 419.59 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8748651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).