(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide

C25H25NO4S — CID 19212222

IUPAC(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25NO4S/c1-3-19-30-23-14-11-21(12-15-23)13-18-25(27)26(22-7-5-4-6-8-22)31(28,29)24-16-9-20(2)10-17-24/h4-18H,3,19H2,1-2H3/b18-13+
InChIKeySCIJHZOVUREMMQ-QGOAFFKASA-N
MW435.55 g/mol
LogP5.22
Rot. Bonds8

About (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 19212222) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID19212222
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25NO4S/c1-3-19-30-23-14-11-21(12-15-23)13-18-25(27)26(22-7-5-4-6-8-22)31(28,29)24-16-9-20(2)10-17-24/h4-18H,3,19H2,1-2H3/b18-13+
InChIKeySCIJHZOVUREMMQ-QGOAFFKASA-N
XLogP5.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212224
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
(E)-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212404
(E)-N-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 22971976
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 19219540
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211725

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide (CID 19212222) is (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is SCIJHZOVUREMMQ-QGOAFFKASA-N. The full InChI is InChI=1S/C25H25NO4S/c1-3-19-30-23-14-11-21(12-15-23)13-18-25(27)26(22-7-5-4-6-8-22)31(28,29)24-16-9-20(2)10-17-24/h4-18H,3,19H2,1-2H3/b18-13+.
What are the key properties of (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 435.55 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19212222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).