(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide

C21H17Cl2NOS — CID 7466949

IUPAC(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17Cl2NOS/c1-14(26-20-17(22)11-7-12-18(20)23)21(25)24-19-13-6-5-10-16(19)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25)/t14-/m0/s1
InChIKeyDFTBIAYTWUUUNE-AWEZNQCLSA-N
MW402.35 g/mol
LogP6.78
Rot. Bonds5

About (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide

(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 7466949) has the molecular formula C21H17Cl2NOS and a molecular weight of 402.35 g/mol. Its IUPAC name is (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID7466949
Molecular FormulaC21H17Cl2NOS
Molecular Weight402.35 g/mol
Exact Mass401.04
IUPAC Name(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17Cl2NOS/c1-14(26-20-17(22)11-7-12-18(20)23)21(25)24-19-13-6-5-10-16(19)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25)/t14-/m0/s1
InChIKeyDFTBIAYTWUUUNE-AWEZNQCLSA-N
XLogP6.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7847873
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
(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-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943
(2S)-N-(2-phenylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7908423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide (CID 7466949) is (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide is C[C@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is DFTBIAYTWUUUNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17Cl2NOS/c1-14(26-20-17(22)11-7-12-18(20)23)21(25)24-19-13-6-5-10-16(19)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 402.35 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 7466949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).