3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide

C16H17NO2S — CID 30796114

IUPAC3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
SMILESCSCc1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C16H17NO2S/c1-20-12-14-8-5-9-15(10-14)16(18)17-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyAGKCSESWNNAJQA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.41
Rot. Bonds6

About 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide

3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide (PubChem CID 30796114) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
PubChem CID30796114
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
SMILESCSCc1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C16H17NO2S/c1-20-12-14-8-5-9-15(10-14)16(18)17-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyAGKCSESWNNAJQA-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 9274402
3-(methylsulfanylmethyl)benzoate
CID 7129113
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
3-(methylsulfanylmethyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9426198
N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 29371206
N-phenylmethoxy-3-(propylsulfonylamino)benzamide
CID 32581421
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide (CID 30796114) is 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide is CSCc1cccc(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide?
The InChIKey is AGKCSESWNNAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-20-12-14-8-5-9-15(10-14)16(18)17-19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide?
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 30796114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).