2-[2-(sulfanyloxymethyl)phenyl]benzamide

C14H13NO2S — CID 145031545

IUPAC2-[2-(sulfanyloxymethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccccc1COS
InChIInChI=1S/C14H13NO2S/c15-14(16)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-17-18/h1-8,18H,9H2,(H2,15,16)
InChIKeyZSLUHBBIDLIXNU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[2-(sulfanyloxymethyl)phenyl]benzamide

2-[2-(sulfanyloxymethyl)phenyl]benzamide (PubChem CID 145031545) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[2-(sulfanyloxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(sulfanyloxymethyl)phenyl]benzamide
PubChem CID145031545
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-[2-(sulfanyloxymethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccccc1COS
InChIInChI=1S/C14H13NO2S/c15-14(16)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-17-18/h1-8,18H,9H2,(H2,15,16)
InChIKeyZSLUHBBIDLIXNU-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
2-(2-pentylphenyl)benzamide
CID 174986965
2-(4-sulfanylphenyl)benzamide
CID 123865204
2-(dibromomethoxymethyl)benzamide
CID 142794227
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2-(2-butoxyphenyl)benzamide
CID 174985404
2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
CID 170876373
2-[2-(3-chloro-2-phenylmethoxyphenyl)phenyl]benzamide
CID 69309565
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(sulfanyloxymethyl)phenyl]benzamide?
The IUPAC name of 2-[2-(sulfanyloxymethyl)phenyl]benzamide (CID 145031545) is 2-[2-(sulfanyloxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(sulfanyloxymethyl)phenyl]benzamide?
The canonical SMILES for 2-[2-(sulfanyloxymethyl)phenyl]benzamide is NC(=O)c1ccccc1-c1ccccc1COS.
What is the InChIKey of 2-[2-(sulfanyloxymethyl)phenyl]benzamide?
The InChIKey is ZSLUHBBIDLIXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c15-14(16)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-17-18/h1-8,18H,9H2,(H2,15,16).
What are the key properties of 2-[2-(sulfanyloxymethyl)phenyl]benzamide?
2-[2-(sulfanyloxymethyl)phenyl]benzamide has a molecular weight of 259.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(sulfanyloxymethyl)phenyl]benzamide is sourced from PubChem (CID 145031545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).