(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C21H17NO2S — CID 7668831

IUPAC(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C21H17NO2S/c1-15(23)17-8-5-9-18(14-17)22-21(24)13-11-19-10-12-20(25-19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)/b13-11+
InChIKeySDPIGHGKOSRTQO-ACCUITESSA-N
MW347.44 g/mol
LogP5.27
Rot. Bonds5

About (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 7668831) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID7668831
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C21H17NO2S/c1-15(23)17-8-5-9-18(14-17)22-21(24)13-11-19-10-12-20(25-19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)/b13-11+
InChIKeySDPIGHGKOSRTQO-ACCUITESSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
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-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
methyl 2-[[3-[3-(5-phenylthiophen-2-yl)prop-2-enoylamino]benzoyl]amino]acetate
CID 55750390
(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 129245213
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 33310642
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 39573477
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
CID 38924103

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 7668831) is (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is CC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is SDPIGHGKOSRTQO-ACCUITESSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-15(23)17-8-5-9-18(14-17)22-21(24)13-11-19-10-12-20(25-19)16-6-3-2-4-7-16/h2-14H,1H3,(H,22,24)/b13-11+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 347.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7668831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).