3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide

C24H35N3O4S — CID 89237118

IUPAC3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)C(C)C1
InChIInChI=1S/C24H35N3O4S/c1-3-23(28)26-21-15-16-27(18(2)17-21)32(30,31)22-12-10-20(11-13-22)25-24(29)14-9-19-7-5-4-6-8-19/h3,10-13,18-19,21H,1,4-9,14-17H2,2H3,(H,25,29)(H,26,28)
InChIKeyVEWALWCRHWHTJF-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.83
Rot. Bonds8

About 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide

3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 89237118) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID89237118
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)C(C)C1
InChIInChI=1S/C24H35N3O4S/c1-3-23(28)26-21-15-16-27(18(2)17-21)32(30,31)22-12-10-20(11-13-22)25-24(29)14-9-19-7-5-4-6-8-19/h3,10-13,18-19,21H,1,4-9,14-17H2,2H3,(H,25,29)(H,26,28)
InChIKeyVEWALWCRHWHTJF-UHFFFAOYSA-N
XLogP3.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]propanamide
CID 89236661
N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89237316
N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 89238172
N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 89236591
benzyl N-[[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]methyl]carbamate
CID 140600982
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
N-[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonyl-2-methylpiperidin-4-yl]prop-2-enamide
CID 89237304
N-[(3,4-difluorophenyl)methyl]-4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89238513
N-[2-methyl-1-[[6-(2-phenylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]prop-2-enamide
CID 89237376
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide
CID 164925577

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide (CID 89237118) is 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide is C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)C(C)C1.
What is the InChIKey of 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is VEWALWCRHWHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-3-23(28)26-21-15-16-27(18(2)17-21)32(30,31)22-12-10-20(11-13-22)25-24(29)14-9-19-7-5-4-6-8-19/h3,10-13,18-19,21H,1,4-9,14-17H2,2H3,(H,25,29)(H,26,28).
What are the key properties of 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 461.63 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 89237118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).