N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C24H27N3O4S — CID 33310480

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4S/c28-23(12-9-18-5-2-1-3-6-18)27-15-13-19(14-16-27)24(29)25-21-7-4-8-22(17-21)32(30,31)26-20-10-11-20/h1-9,12,17,19-20,26H,10-11,13-16H2,(H,25,29)/b12-9+
InChIKeyQFNDSUGKYOZQHT-FMIVXFBMSA-N
MW453.56 g/mol
LogP3.02
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 33310480) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID33310480
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4S/c28-23(12-9-18-5-2-1-3-6-18)27-15-13-19(14-16-27)24(29)25-21-7-4-8-22(17-21)32(30,31)26-20-10-11-20/h1-9,12,17,19-20,26H,10-11,13-16H2,(H,25,29)/b12-9+
InChIKeyQFNDSUGKYOZQHT-FMIVXFBMSA-N
XLogP3.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 25478855
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
1-[(E)-3-phenylprop-2-enoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46693006
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26454870
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 30831036
N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 42888967

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 33310480) is N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is QFNDSUGKYOZQHT-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-23(12-9-18-5-2-1-3-6-18)27-15-13-19(14-16-27)24(29)25-21-7-4-8-22(17-21)32(30,31)26-20-10-11-20/h1-9,12,17,19-20,26H,10-11,13-16H2,(H,25,29)/b12-9+.
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 33310480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).