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

C21H19NO3S — CID 7668716

IUPAC(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc(OC)c1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)11-9-19-8-10-20(26-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,23)/b11-9+
InChIKeyGAHAOKIDBRRRKL-PKNBQFBNSA-N
MW365.45 g/mol
LogP5.08
Rot. Bonds6

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

(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 7668716) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID7668716
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc(OC)c1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)11-9-19-8-10-20(26-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,23)/b11-9+
InChIKeyGAHAOKIDBRRRKL-PKNBQFBNSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(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)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
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-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 11311515
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 17415370

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 7668716) is (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc(OC)c1.
What is the InChIKey of (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is GAHAOKIDBRRRKL-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-17-12-16(13-18(14-17)25-2)22-21(23)11-9-19-8-10-20(26-19)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,23)/b11-9+.
What are the key properties of (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 365.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7668716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).