(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

C17H17Cl2NO2S — CID 7847827

IUPAC(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2S/c1-11(23-16-14(18)4-3-5-15(16)19)17(21)20-10-12-6-8-13(22-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyLKVAVMQSFPHXKB-LLVKDONJSA-N
MW370.30 g/mol
LogP4.80
Rot. Bonds6

About (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 7847827) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID7847827
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2S/c1-11(23-16-14(18)4-3-5-15(16)19)17(21)20-10-12-6-8-13(22-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyLKVAVMQSFPHXKB-LLVKDONJSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
CID 7468528
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 2085992
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632417
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 8858713
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46693684
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 7847827) is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is LKVAVMQSFPHXKB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-11(23-16-14(18)4-3-5-15(16)19)17(21)20-10-12-6-8-13(22-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide?
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 370.30 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 7847827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).