2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide

C16H16N2O2S — CID 114482179

IUPAC2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
SMILESCc1cc(C(N)=S)ccc1COc1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O2S/c1-10-8-11(16(18)21)6-7-12(10)9-20-14-5-3-2-4-13(14)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21)
InChIKeyQXNWYJPLMORENZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.31
Rot. Bonds5

About 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide

2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide (PubChem CID 114482179) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
PubChem CID114482179
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
SMILESCc1cc(C(N)=S)ccc1COc1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O2S/c1-10-8-11(16(18)21)6-7-12(10)9-20-14-5-3-2-4-13(14)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21)
InChIKeyQXNWYJPLMORENZ-UHFFFAOYSA-N
XLogP2.31
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.31
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

2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
4-[(2,3-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482203
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196
4-[(3-methoxyphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482204
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
3-chloro-4-[(2-ethylphenoxy)methyl]benzenecarbothioamide
CID 102666566
4-(2-methoxyethoxymethyl)-3-methylbenzenecarbothioamide
CID 114482192
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
4-[(3-ethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482207

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide?
The IUPAC name of 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide (CID 114482179) is 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide?
The canonical SMILES for 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide is Cc1cc(C(N)=S)ccc1COc1ccccc1C(N)=O.
What is the InChIKey of 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide?
The InChIKey is QXNWYJPLMORENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-8-11(16(18)21)6-7-12(10)9-20-14-5-3-2-4-13(14)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21).
What are the key properties of 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide?
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 114482179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).