(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C17H19NOS — CID 67511313

IUPAC(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H19NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-12H,3,13H2,1-2H3/b11-10+
InChIKeyCLIXKVCPYYTQHA-ZHACJKMWSA-N
MW285.41 g/mol
LogP4.12
Rot. Bonds5

About (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 67511313) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID67511313
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H19NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-12H,3,13H2,1-2H3/b11-10+
InChIKeyCLIXKVCPYYTQHA-ZHACJKMWSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 67511313) is (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is CLIXKVCPYYTQHA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-18(13-16-5-4-12-20-16)17(19)11-10-15-8-6-14(2)7-9-15/h4-12H,3,13H2,1-2H3/b11-10+.
What are the key properties of (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 285.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 67511313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).