(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide

C17H15Cl2NO2S — CID 7847771

IUPAC(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO2S/c1-10(21)12-6-8-13(9-7-12)20-17(22)11(2)23-16-14(18)4-3-5-15(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyFQYCMZDIBACBFJ-LLVKDONJSA-N
MW368.29 g/mol
LogP5.32
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide

(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (PubChem CID 7847771) has the molecular formula C17H15Cl2NO2S and a molecular weight of 368.29 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
PubChem CID7847771
Molecular FormulaC17H15Cl2NO2S
Molecular Weight368.29 g/mol
Exact Mass367.02
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO2S/c1-10(21)12-6-8-13(9-7-12)20-17(22)11(2)23-16-14(18)4-3-5-15(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyFQYCMZDIBACBFJ-LLVKDONJSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7466947
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-chloro-4-fluorophenyl)propanamide
CID 19317124
N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901250
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8957069

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (CID 7847771) is (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The InChIKey is FQYCMZDIBACBFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15Cl2NO2S/c1-10(21)12-6-8-13(9-7-12)20-17(22)11(2)23-16-14(18)4-3-5-15(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide has a molecular weight of 368.29 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7847771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).