(E)-2-methyl-N,3-diphenylprop-2-enethioamide

C16H15NS — CID 13266209

IUPAC(E)-2-methyl-N,3-diphenylprop-2-enethioamide
SMILESC/C(=C\c1ccccc1)C(=S)Nc1ccccc1
InChIInChI=1S/C16H15NS/c1-13(12-14-8-4-2-5-9-14)16(18)17-15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b13-12+
InChIKeyFQEHGAMYEBUYDF-OUKQBFOZSA-N
MW253.37 g/mol
LogP4.53
Rot. Bonds3

About (E)-2-methyl-N,3-diphenylprop-2-enethioamide

(E)-2-methyl-N,3-diphenylprop-2-enethioamide (PubChem CID 13266209) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is (E)-2-methyl-N,3-diphenylprop-2-enethioamide.

Molecular Properties

Compound Name(E)-2-methyl-N,3-diphenylprop-2-enethioamide
PubChem CID13266209
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name(E)-2-methyl-N,3-diphenylprop-2-enethioamide
SMILESC/C(=C\c1ccccc1)C(=S)Nc1ccccc1
InChIInChI=1S/C16H15NS/c1-13(12-14-8-4-2-5-9-14)16(18)17-15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b13-12+
InChIKeyFQEHGAMYEBUYDF-OUKQBFOZSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 4153463
1-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-phenylthiourea
CID 3461984
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
(Z)-3-hydroxy-N-phenylbut-2-enethioamide
CID 137168826
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
CID 12586000
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
bis(phenylcarbamothioylsulfanyl)lead
CID 141142278
N-(1-phenylprop-1-en-2-yl)hydroxylamine
CID 174837746

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N,3-diphenylprop-2-enethioamide?
The IUPAC name of (E)-2-methyl-N,3-diphenylprop-2-enethioamide (CID 13266209) is (E)-2-methyl-N,3-diphenylprop-2-enethioamide.
What is the SMILES notation for (E)-2-methyl-N,3-diphenylprop-2-enethioamide?
The canonical SMILES for (E)-2-methyl-N,3-diphenylprop-2-enethioamide is C/C(=C\c1ccccc1)C(=S)Nc1ccccc1.
What is the InChIKey of (E)-2-methyl-N,3-diphenylprop-2-enethioamide?
The InChIKey is FQEHGAMYEBUYDF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H15NS/c1-13(12-14-8-4-2-5-9-14)16(18)17-15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b13-12+.
What are the key properties of (E)-2-methyl-N,3-diphenylprop-2-enethioamide?
(E)-2-methyl-N,3-diphenylprop-2-enethioamide has a molecular weight of 253.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N,3-diphenylprop-2-enethioamide is sourced from PubChem (CID 13266209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).