N-(2-phenylsulfanylphenyl)benzamide

C19H15NOS — CID 900781

IUPACN-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NOS/c21-19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKeySTQRJOLELXIVSE-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.09
Rot. Bonds4

About N-(2-phenylsulfanylphenyl)benzamide

N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 900781) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)benzamide
PubChem CID900781
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC NameN-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NOS/c21-19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKeySTQRJOLELXIVSE-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)benzamide (CID 900781) is N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)benzamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is STQRJOLELXIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c21-19(15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h1-14H,(H,20,21).
What are the key properties of N-(2-phenylsulfanylphenyl)benzamide?
N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 305.40 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 900781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).