N-(2-phenylsulfanylethyl)benzamide

C15H15NOS — CID 2282924

IUPACN-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyDTZYZGPKFQRWFG-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.21
Rot. Bonds5

About N-(2-phenylsulfanylethyl)benzamide

N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2282924) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)benzamide
PubChem CID2282924
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyDTZYZGPKFQRWFG-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of N-(2-phenylsulfanylethyl)benzamide (CID 2282924) is N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is DTZYZGPKFQRWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of N-(2-phenylsulfanylethyl)benzamide?
N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 257.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2282924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).