(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C21H18N2O2S — CID 7667582

IUPAC(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15(24)22-17-7-9-18(10-8-17)23-21(25)14-12-19-11-13-20(26-19)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24)(H,23,25)/b14-12+
InChIKeyKGJVFYJYACHSEC-WYMLVPIESA-N
MW362.45 g/mol
LogP5.03
Rot. Bonds5

About (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 7667582) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID7667582
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15(24)22-17-7-9-18(10-8-17)23-21(25)14-12-19-11-13-20(26-19)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24)(H,23,25)/b14-12+
InChIKeyKGJVFYJYACHSEC-WYMLVPIESA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
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-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 33310642
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 39573477
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 129245213
(E)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 17415370
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303
methyl 2-[[3-[3-(5-phenylthiophen-2-yl)prop-2-enoylamino]benzoyl]amino]acetate
CID 55750390
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 134056288

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 7667582) is (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is KGJVFYJYACHSEC-WYMLVPIESA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-15(24)22-17-7-9-18(10-8-17)23-21(25)14-12-19-11-13-20(26-19)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24)(H,23,25)/b14-12+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 362.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).