4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide

C20H17N3O2S — CID 17099472

IUPAC4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccn1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2S/c24-19(23-20(26)22-18-8-4-5-13-21-18)16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,21,22,23,24,26)
InChIKeyLSDVLSSHPRHSTQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.79
Rot. Bonds5

About 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide

4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide (PubChem CID 17099472) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
PubChem CID17099472
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccccn1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2S/c24-19(23-20(26)22-18-8-4-5-13-21-18)16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,21,22,23,24,26)
InChIKeyLSDVLSSHPRHSTQ-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17115038
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
N-(naphthalen-1-ylcarbamothioyl)-4-phenylmethoxybenzamide
CID 22775968
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779889
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
4-fluoro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933343
N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17104557

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide?
The IUPAC name of 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide (CID 17099472) is 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccccn1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide?
The InChIKey is LSDVLSSHPRHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-19(23-20(26)22-18-8-4-5-13-21-18)16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,21,22,23,24,26).
What are the key properties of 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide?
4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 17099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).