N-(phenylsulfanylmethyl)benzamide

C14H13NOS — CID 3631644

IUPACN-(phenylsulfanylmethyl)benzamide
SMILESO=C(NCSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-14(12-7-3-1-4-8-12)15-11-17-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyNLUFNWLTQGIRQW-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.17
Rot. Bonds4

About N-(phenylsulfanylmethyl)benzamide

N-(phenylsulfanylmethyl)benzamide (PubChem CID 3631644) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(phenylsulfanylmethyl)benzamide
PubChem CID3631644
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-(phenylsulfanylmethyl)benzamide
SMILESO=C(NCSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-14(12-7-3-1-4-8-12)15-11-17-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyNLUFNWLTQGIRQW-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(phenylsulfanylmethyl)benzamide (CID 3631644) is N-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(phenylsulfanylmethyl)benzamide is O=C(NCSc1ccccc1)c1ccccc1.
What is the InChIKey of N-(phenylsulfanylmethyl)benzamide?
The InChIKey is NLUFNWLTQGIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(12-7-3-1-4-8-12)15-11-17-13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16).
What are the key properties of N-(phenylsulfanylmethyl)benzamide?
N-(phenylsulfanylmethyl)benzamide has a molecular weight of 243.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 3631644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).