(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide

C16H13F3N2O2S — CID 17443026

IUPAC(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2S/c1-10(22)20-12-3-4-14(13(8-12)16(17,18)19)21-15(23)5-2-11-6-7-24-9-11/h2-9H,1H3,(H,20,22)(H,21,23)/b5-2+
InChIKeyOAZUFKDPTYSLNX-GORDUTHDSA-N
MW354.35 g/mol
LogP4.38
Rot. Bonds4

About (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 17443026) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID17443026
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC Name(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2S/c1-10(22)20-12-3-4-14(13(8-12)16(17,18)19)21-15(23)5-2-11-6-7-24-9-11/h2-9H,1H3,(H,20,22)(H,21,23)/b5-2+
InChIKeyOAZUFKDPTYSLNX-GORDUTHDSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.38
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-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 24556381
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30267608
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 51191800
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
methyl 7-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034883
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
[2-(3-acetamidoanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549957

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide (CID 17443026) is (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)c(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is OAZUFKDPTYSLNX-GORDUTHDSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c1-10(22)20-12-3-4-14(13(8-12)16(17,18)19)21-15(23)5-2-11-6-7-24-9-11/h2-9H,1H3,(H,20,22)(H,21,23)/b5-2+.
What are the key properties of (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 354.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 17443026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).