(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide

C15H15NOS — CID 86973808

IUPAC(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccsc2)c(C)c1
InChIInChI=1S/C15H15NOS/c1-11-3-4-13(12(2)9-11)5-6-15(17)16-14-7-8-18-10-14/h3-10H,1-2H3,(H,16,17)/b6-5+
InChIKeyWYWQPLQFIJHLHA-AATRIKPKSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds3

About (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide

(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide (PubChem CID 86973808) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
PubChem CID86973808
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccsc2)c(C)c1
InChIInChI=1S/C15H15NOS/c1-11-3-4-13(12(2)9-11)5-6-15(17)16-14-7-8-18-10-14/h3-10H,1-2H3,(H,16,17)/b6-5+
InChIKeyWYWQPLQFIJHLHA-AATRIKPKSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.02
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

(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 22301699
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
3-(2,4-dimethylphenyl)-N-[4-(thiophen-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 76825463
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 75269062
2-methoxyethyl N-[3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 47740999
(E)-3-(2,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 167933207
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109928
(E)-3-(2,4-dimethylphenyl)-N-(4-hydroxybutyl)prop-2-enamide
CID 106842991
(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 17413794
2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid
CID 43357778
2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43469403

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide (CID 86973808) is (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccsc2)c(C)c1.
What is the InChIKey of (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide?
The InChIKey is WYWQPLQFIJHLHA-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-3-4-13(12(2)9-11)5-6-15(17)16-14-7-8-18-10-14/h3-10H,1-2H3,(H,16,17)/b6-5+.
What are the key properties of (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide?
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 86973808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).