N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide

C16H16N2O2S — CID 3305913

IUPACN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C16H16N2O2S/c19-11-13-7-4-8-14(9-13)17-16(21)18-15(20)10-12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H2,17,18,20,21)
InChIKeyBOGMEDXEPQHIRA-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.23
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide

N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 3305913) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID3305913
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(CO)c1
InChIInChI=1S/C16H16N2O2S/c19-11-13-7-4-8-14(9-13)17-16(21)18-15(20)10-12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H2,17,18,20,21)
InChIKeyBOGMEDXEPQHIRA-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393533
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 1014420
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
3-[(2-phenylacetyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168214

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide (CID 3305913) is N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is BOGMEDXEPQHIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-11-13-7-4-8-14(9-13)17-16(21)18-15(20)10-12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H2,17,18,20,21).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide?
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 3305913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).