N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide

C24H36N2O3S — CID 89237105

IUPACN-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1C(C)(C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1(C)C
InChIInChI=1S/C24H36N2O3S/c1-6-21(27)25-22-23(2,3)16-26(17-24(22,4)5)30(28,29)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h6,12-15,18,22H,1,7-11,16-17H2,2-5H3,(H,25,27)
InChIKeyBXZDYXOKTBZFDA-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.46
Rot. Bonds5

About N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide

N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide (PubChem CID 89237105) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide
PubChem CID89237105
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC NameN-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1C(C)(C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1(C)C
InChIInChI=1S/C24H36N2O3S/c1-6-21(27)25-22-23(2,3)16-26(17-24(22,4)5)30(28,29)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h6,12-15,18,22H,1,7-11,16-17H2,2-5H3,(H,25,27)
InChIKeyBXZDYXOKTBZFDA-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidin-4-yl]prop-2-enamide
CID 89238392
N-[3,3,5,5-tetramethyl-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237255
N-[1-(4-methoxy-3-methylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide
CID 89239316
N-benzyl-N-methyl-4-[3,3,5,5-tetramethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237192
5-(pyrrolidin-1-ylmethyl)-N-[4-[3,3,5,5-tetramethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
CID 89238108
N-[2-(4-methoxyphenyl)ethyl]-4-[3,3,5,5-tetramethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89238563
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]-4-[3,3,5,5-tetramethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89236862
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide (CID 89237105) is N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1C(C)(C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1(C)C.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide?
The InChIKey is BXZDYXOKTBZFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c1-6-21(27)25-22-23(2,3)16-26(17-24(22,4)5)30(28,29)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h6,12-15,18,22H,1,7-11,16-17H2,2-5H3,(H,25,27).
What are the key properties of N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide?
N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide has a molecular weight of 432.63 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89237105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).