2-benzylsulfanyl-N-(2-phenylphenyl)propanamide

C22H21NOS — CID 2942740

IUPAC2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyACAYCMLVJGOTJK-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.61
Rot. Bonds6

About 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide

2-benzylsulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 2942740) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID2942740
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyACAYCMLVJGOTJK-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide (CID 2942740) is 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide is CC(SCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is ACAYCMLVJGOTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24).
What are the key properties of 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide?
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 347.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 2942740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).