(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide

C15H15NOS — CID 897829

IUPAC(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C15H15NOS/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17)/b9-8+
InChIKeyMCKNEKIYWFXGCV-CMDGGOBGSA-N
MW257.36 g/mol
LogP3.39
Rot. Bonds4

About (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 897829) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID897829
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C15H15NOS/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17)/b9-8+
InChIKeyMCKNEKIYWFXGCV-CMDGGOBGSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Tifacogin
CID 961320
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 897829) is (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide is Cc1ccc(CNC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MCKNEKIYWFXGCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NOS/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3-2-10-18-14/h2-10H,11H2,1H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 897829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).