(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

C26H27NO5S — CID 19219540

IUPAC(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27NO5S/c1-3-4-20-32-25-13-9-8-10-21(25)14-19-26(28)27(22-15-17-23(31-2)18-16-22)33(29,30)24-11-6-5-7-12-24/h5-19H,3-4,20H2,1-2H3/b19-14+
InChIKeyCIISRPDXLAAPHI-XMHGGMMESA-N
MW465.57 g/mol
LogP5.31
Rot. Bonds10

About (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19219540) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID19219540
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27NO5S/c1-3-4-20-32-25-13-9-8-10-21(25)14-19-26(28)27(22-15-17-23(31-2)18-16-22)33(29,30)24-11-6-5-7-12-24/h5-19H,3-4,20H2,1-2H3/b19-14+
InChIKeyCIISRPDXLAAPHI-XMHGGMMESA-N
XLogP5.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
(E)-N-(benzenesulfonyl)-N-(4-butylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19212082
(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
CID 19211903
(E)-N-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
(E)-N-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)-N-(4-butylphenyl)prop-2-enamide
CID 19211971
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 19211893
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide (CID 19219540) is (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide is CCCCOc1ccccc1/C=C/C(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is CIISRPDXLAAPHI-XMHGGMMESA-N. The full InChI is InChI=1S/C26H27NO5S/c1-3-4-20-32-25-13-9-8-10-21(25)14-19-26(28)27(22-15-17-23(31-2)18-16-22)33(29,30)24-11-6-5-7-12-24/h5-19H,3-4,20H2,1-2H3/b19-14+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 465.57 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19219540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).