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

C23H21NO5S — CID 19211692

IUPAC(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-28-20-13-8-18(9-14-20)10-17-23(25)24(19-11-15-21(29-2)16-12-19)30(26,27)22-6-4-3-5-7-22/h3-17H,1-2H3/b17-10+
InChIKeyYNNZOLJHBYJBEJ-LICLKQGHSA-N
MW423.49 g/mol
LogP4.14
Rot. Bonds7

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

(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide (PubChem CID 19211692) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
PubChem CID19211692
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-28-20-13-8-18(9-14-20)10-17-23(25)24(19-11-15-21(29-2)16-12-19)30(26,27)22-6-4-3-5-7-22/h3-17H,1-2H3/b17-10+
InChIKeyYNNZOLJHBYJBEJ-LICLKQGHSA-N
XLogP4.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
(E)-N-(benzenesulfonyl)-3-(2-butoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 19219540
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-N-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19212038
(E)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212224
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
(E)-N-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)-N-(4-butylphenyl)prop-2-enamide
CID 19211971

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide (CID 19211692) is (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YNNZOLJHBYJBEJ-LICLKQGHSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-28-20-13-8-18(9-14-20)10-17-23(25)24(19-11-15-21(29-2)16-12-19)30(26,27)22-6-4-3-5-7-22/h3-17H,1-2H3/b17-10+.
What are the key properties of (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide has a molecular weight of 423.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).