N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

C15H14N2O2S — CID 916513

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2S/c18-13-8-6-12(7-9-13)16-15(20)17-14(19)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,16,17,19,20)
InChIKeyHROPOQZLSIHNRN-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.45
Rot. Bonds3

About N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 916513) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID916513
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2S/c18-13-8-6-12(7-9-13)16-15(20)17-14(19)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,16,17,19,20)
InChIKeyHROPOQZLSIHNRN-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 1344774
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
4-aminophenol;N-(4-hydroxyphenyl)-2-phenylacetamide
CID 158944339
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (CID 916513) is N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is HROPOQZLSIHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-13-8-6-12(7-9-13)16-15(20)17-14(19)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,16,17,19,20).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 286.36 g/mol, XLogP of 2.45, 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]-2-phenylacetamide is sourced from PubChem (CID 916513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).