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

C17H16Cl2N2O2S — CID 7847766

IUPAC(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(24-16-14(18)4-3-5-15(16)19)17(23)21-13-8-6-12(7-9-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m1/s1
InChIKeyXHUMZOVOFJLHJM-SNVBAGLBSA-N
MW383.30 g/mol
LogP5.07
Rot. Bonds5

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

(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (PubChem CID 7847766) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
PubChem CID7847766
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(24-16-14(18)4-3-5-15(16)19)17(23)21-13-8-6-12(7-9-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m1/s1
InChIKeyXHUMZOVOFJLHJM-SNVBAGLBSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.30
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7466947
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 25496828
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(4-acetamidophenyl)-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18081755
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (CID 7847766) is (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The InChIKey is XHUMZOVOFJLHJM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-10(24-16-14(18)4-3-5-15(16)19)17(23)21-13-8-6-12(7-9-13)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide has a molecular weight of 383.30 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7847766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).