N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide

C16H16N2O2S — CID 80722470

IUPACN-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-7-4-6-12(9-13)16(17)21)15(20)10-11-5-2-3-8-14(11)19/h2-9,19H,10H2,1H3,(H2,17,21)
InChIKeyUSZODUWAVHWWIN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.23
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide

N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 80722470) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID80722470
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-7-4-6-12(9-13)16(17)21)15(20)10-11-5-2-3-8-14(11)19/h2-9,19H,10H2,1H3,(H2,17,21)
InChIKeyUSZODUWAVHWWIN-UHFFFAOYSA-N
XLogP2.23
TPSA66.56 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
2-methylpropyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969637
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
3-[methyl-[(2-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62971238
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide (CID 80722470) is N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide is CN(C(=O)Cc1ccccc1O)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is USZODUWAVHWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(13-7-4-6-12(9-13)16(17)21)15(20)10-11-5-2-3-8-14(11)19/h2-9,19H,10H2,1H3,(H2,17,21).
What are the key properties of N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 80722470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).