N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide

C16H14N2O2S — CID 932766

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C16H14N2O2S/c19-14-9-7-13(8-10-14)17-16(21)18-15(20)11-6-12-4-2-1-3-5-12/h1-11,19H,(H2,17,18,20,21)
InChIKeyKULMGSUBHSKTGH-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.92
Rot. Bonds3

About N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide

N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide (PubChem CID 932766) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
PubChem CID932766
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C16H14N2O2S/c19-14-9-7-13(8-10-14)17-16(21)18-15(20)11-6-12-4-2-1-3-5-12/h1-11,19H,(H2,17,18,20,21)
InChIKeyKULMGSUBHSKTGH-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-iodophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 1380280
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 2887824
(E)-3-(4-fluorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 920824
(E)-N-[(4-acetylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786688
methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
CID 826517
(E)-N-[(4-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 5348629
N-[4-(acetylcarbamothioylamino)phenyl]-3-phenylprop-2-enamide
CID 960900
3-(2-chlorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 927011
(E)-N-[(4-anilinophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6308023
N-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 5348605
4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 26158359
1-(4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 9469508

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide (CID 932766) is N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NC(=S)Nc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide?
The InChIKey is KULMGSUBHSKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-14-9-7-13(8-10-14)17-16(21)18-15(20)11-6-12-4-2-1-3-5-12/h1-11,19H,(H2,17,18,20,21).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide?
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 932766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).