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

C20H17NO2S — CID 7667979

IUPAC(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H17NO2S/c1-23-17-9-7-16(8-10-17)21-20(22)14-12-18-11-13-19(24-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)/b14-12+
InChIKeyXQHWONWSUUAJDV-WYMLVPIESA-N
MW335.43 g/mol
LogP5.08
Rot. Bonds5

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

(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 7667979) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID7667979
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H17NO2S/c1-23-17-9-7-16(8-10-17)21-20(22)14-12-18-11-13-19(24-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)/b14-12+
InChIKeyXQHWONWSUUAJDV-WYMLVPIESA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.08
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-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 33310642
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 11311515
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
methyl 2-[[3-[3-(5-phenylthiophen-2-yl)prop-2-enoylamino]benzoyl]amino]acetate
CID 55750390
(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
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7733790
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 7667979) is (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is XQHWONWSUUAJDV-WYMLVPIESA-N. The full InChI is InChI=1S/C20H17NO2S/c1-23-17-9-7-16(8-10-17)21-20(22)14-12-18-11-13-19(24-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)/b14-12+.
What are the key properties of (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 335.43 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7667979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).