2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide

C22H21NOS — CID 2948169

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NOS/c1-16-12-14-19(15-13-16)25-17(2)22(24)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,23,24)
InChIKeyGPPXLMFXTPOOLR-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.78
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide

2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 2948169) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID2948169
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21NOS/c1-16-12-14-19(15-13-16)25-17(2)22(24)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,23,24)
InChIKeyGPPXLMFXTPOOLR-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide (CID 2948169) is 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide is Cc1ccc(SC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is GPPXLMFXTPOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-16-12-14-19(15-13-16)25-17(2)22(24)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,23,24).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 347.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 2948169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).