(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide

C23H21NO3S — CID 19211834

IUPAC(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-2-19-13-16-21(17-14-19)24(28(26,27)22-11-7-4-8-12-22)23(25)18-15-20-9-5-3-6-10-20/h3-18H,2H2,1H3/b18-15+
InChIKeyQQZQIDYVDJKLMM-OBGWFSINSA-N
MW391.49 g/mol
LogP4.68
Rot. Bonds6

About (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide

(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide (PubChem CID 19211834) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
PubChem CID19211834
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-2-19-13-16-21(17-14-19)24(28(26,27)22-11-7-4-8-12-22)23(25)18-15-20-9-5-3-6-10-20/h3-18H,2H2,1H3/b18-15+
InChIKeyQQZQIDYVDJKLMM-OBGWFSINSA-N
XLogP4.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19212038
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211798
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
(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
N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
CID 19210712
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
CID 101014458
N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
CID 19211034
(E)-N-(benzenesulfonyl)-N-(4-butylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19212082
(E)-N-(benzenesulfonyl)-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 19211893

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide (CID 19211834) is (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide is CCc1ccc(N(C(=O)/C=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is QQZQIDYVDJKLMM-OBGWFSINSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-2-19-13-16-21(17-14-19)24(28(26,27)22-11-7-4-8-12-22)23(25)18-15-20-9-5-3-6-10-20/h3-18H,2H2,1H3/b18-15+.
What are the key properties of (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 391.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 19211834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).