(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide

C23H19Cl2NO4S — CID 19211903

IUPAC(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(N(C(=O)/C=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2NO4S/c1-2-30-20-12-10-19(11-13-20)26(31(28,29)21-14-8-18(24)9-15-21)23(27)16-7-17-5-3-4-6-22(17)25/h3-16H,2H2,1H3/b16-7+
InChIKeyPNBXWUWOPURPPQ-FRKPEAEDSA-N
MW476.38 g/mol
LogP5.83
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 19211903) has the molecular formula C23H19Cl2NO4S and a molecular weight of 476.38 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID19211903
Molecular FormulaC23H19Cl2NO4S
Molecular Weight476.38 g/mol
Exact Mass475.04
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(N(C(=O)/C=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2NO4S/c1-2-30-20-12-10-19(11-13-20)26(31(28,29)21-14-8-18(24)9-15-21)23(27)16-7-17-5-3-4-6-22(17)25/h3-16H,2H2,1H3/b16-7+
InChIKeyPNBXWUWOPURPPQ-FRKPEAEDSA-N
XLogP5.83
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide 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

(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 19211893
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19210329
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211798
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
(E)-N-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 19211796
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 19219540
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide (CID 19211903) is (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(N(C(=O)/C=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is PNBXWUWOPURPPQ-FRKPEAEDSA-N. The full InChI is InChI=1S/C23H19Cl2NO4S/c1-2-30-20-12-10-19(11-13-20)26(31(28,29)21-14-8-18(24)9-15-21)23(27)16-7-17-5-3-4-6-22(17)25/h3-16H,2H2,1H3/b16-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 476.38 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19211903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).