2-methylsulfanyl-N-(2-phenylphenyl)propanamide

C16H17NOS — CID 43077390

IUPAC2-methylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17NOS/c1-12(19-2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,17,18)
InChIKeyRRLKRCIZHSBFOC-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.04
Rot. Bonds4

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

2-methylsulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 43077390) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID43077390
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-methylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17NOS/c1-12(19-2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,17,18)
InChIKeyRRLKRCIZHSBFOC-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
methyl 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]sulfanylacetate
CID 29352228
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-N-(2-phenylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7908423
[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
CID 11500814

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenylphenyl)propanamide (CID 43077390) is 2-methylsulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenylphenyl)propanamide is CSC(C)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is RRLKRCIZHSBFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(19-2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-N-(2-phenylphenyl)propanamide?
2-methylsulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 271.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 43077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).