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

C22H20N2O3S — CID 33310642

IUPAC(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1NC(C)=O
InChIInChI=1S/C22H20N2O3S/c1-15(25)23-19-14-17(8-11-20(19)27-2)24-22(26)13-10-18-9-12-21(28-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,25)(H,24,26)/b13-10+
InChIKeyQEUYKEZQIIXYPF-JLHYYAGUSA-N
MW392.48 g/mol
LogP5.03
Rot. Bonds6

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

(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 33310642) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID33310642
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1NC(C)=O
InChIInChI=1S/C22H20N2O3S/c1-15(25)23-19-14-17(8-11-20(19)27-2)24-22(26)13-10-18-9-12-21(28-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,25)(H,24,26)/b13-10+
InChIKeyQEUYKEZQIIXYPF-JLHYYAGUSA-N
XLogP5.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
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-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
3-[5-(4-bromophenyl)thiophen-2-yl]-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 74625119
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
methyl 2-[[3-[3-(5-phenylthiophen-2-yl)prop-2-enoylamino]benzoyl]amino]acetate
CID 55750390
(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-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
(E)-N-(3-acetamido-4-methoxyphenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 35347755

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 33310642) is (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1NC(C)=O.
What is the InChIKey of (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is QEUYKEZQIIXYPF-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15(25)23-19-14-17(8-11-20(19)27-2)24-22(26)13-10-18-9-12-21(28-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,25)(H,24,26)/b13-10+.
What are the key properties of (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 392.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 33310642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).