(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

C26H25ClN2O3S — CID 6518487

IUPAC(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O3S/c27-25-12-6-5-11-21(25)19-24(20-9-3-1-4-10-20)26(30)28-22-13-15-23(16-14-22)33(31,32)29-17-7-2-8-18-29/h1,3-6,9-16,19H,2,7-8,17-18H2,(H,28,30)/b24-19+
InChIKeyFCDRZFQPNAXYPF-LYBHJNIJSA-N
MW481.02 g/mol
LogP5.69
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6518487) has the molecular formula C26H25ClN2O3S and a molecular weight of 481.02 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID6518487
Molecular FormulaC26H25ClN2O3S
Molecular Weight481.02 g/mol
Exact Mass480.13
IUPAC Name(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O3S/c27-25-12-6-5-11-21(25)19-24(20-9-3-1-4-10-20)26(30)28-22-13-15-23(16-14-22)33(31,32)29-17-7-2-8-18-29/h1,3-6,9-16,19H,2,7-8,17-18H2,(H,28,30)/b24-19+
InChIKeyFCDRZFQPNAXYPF-LYBHJNIJSA-N
XLogP5.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1305015
(Z)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2,3-diphenylprop-2-enamide
CID 108759486
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)prop-2-enamide
CID 2330995
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide (CID 6518487) is (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is FCDRZFQPNAXYPF-LYBHJNIJSA-N. The full InChI is InChI=1S/C26H25ClN2O3S/c27-25-12-6-5-11-21(25)19-24(20-9-3-1-4-10-20)26(30)28-22-13-15-23(16-14-22)33(31,32)29-17-7-2-8-18-29/h1,3-6,9-16,19H,2,7-8,17-18H2,(H,28,30)/b24-19+.
What are the key properties of (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 481.02 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6518487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).