(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide

C22H20N2O2S — CID 39573477

IUPAC(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C22H20N2O2S/c1-16(25)24-19-9-5-6-17(14-19)15-23-22(26)13-11-20-10-12-21(27-20)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25)/b13-11+
InChIKeyNSIIWPBAYFWOTA-ACCUITESSA-N
MW376.48 g/mol
LogP4.70
Rot. Bonds6

About (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 39573477) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID39573477
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C22H20N2O2S/c1-16(25)24-19-9-5-6-17(14-19)15-23-22(26)13-11-20-10-12-21(27-20)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25)/b13-11+
InChIKeyNSIIWPBAYFWOTA-ACCUITESSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.70
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-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(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
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
N-[(3-acetamidophenyl)methyl]-3-(5-bromofuran-2-yl)prop-2-enamide
CID 47093706
3-[[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 33098154
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
[2-(benzylamino)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8515428
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 39573477) is (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide is CC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1.
What is the InChIKey of (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is NSIIWPBAYFWOTA-ACCUITESSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-16(25)24-19-9-5-6-17(14-19)15-23-22(26)13-11-20-10-12-21(27-20)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25)/b13-11+.
What are the key properties of (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 39573477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).