2-[(4-carbamothioylphenyl)methoxy]benzamide

C15H14N2O2S — CID 24702610

IUPAC2-[(4-carbamothioylphenyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2O2S/c16-14(18)12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,16,18)(H2,17,20)
InChIKeyKGQQHERSQJUCOV-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.00
Rot. Bonds5

About 2-[(4-carbamothioylphenyl)methoxy]benzamide

2-[(4-carbamothioylphenyl)methoxy]benzamide (PubChem CID 24702610) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(4-carbamothioylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(4-carbamothioylphenyl)methoxy]benzamide
PubChem CID24702610
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[(4-carbamothioylphenyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2O2S/c16-14(18)12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,16,18)(H2,17,20)
InChIKeyKGQQHERSQJUCOV-UHFFFAOYSA-N
XLogP2.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.00
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-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
CID 114482179
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
2-[(2-amino-4-pyridinyl)methoxy]benzamide
CID 62463915
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioylphenyl)methoxy]benzamide?
The IUPAC name of 2-[(4-carbamothioylphenyl)methoxy]benzamide (CID 24702610) is 2-[(4-carbamothioylphenyl)methoxy]benzamide.
What is the SMILES notation for 2-[(4-carbamothioylphenyl)methoxy]benzamide?
The canonical SMILES for 2-[(4-carbamothioylphenyl)methoxy]benzamide is NC(=O)c1ccccc1OCc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-[(4-carbamothioylphenyl)methoxy]benzamide?
The InChIKey is KGQQHERSQJUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-14(18)12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)15(17)20/h1-8H,9H2,(H2,16,18)(H2,17,20).
What are the key properties of 2-[(4-carbamothioylphenyl)methoxy]benzamide?
2-[(4-carbamothioylphenyl)methoxy]benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioylphenyl)methoxy]benzamide is sourced from PubChem (CID 24702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).