2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

C17H17Cl2NOS — CID 7466914

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NOS/c1-12(13-6-3-2-4-7-13)10-20-16(21)11-22-17-14(18)8-5-9-15(17)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyGDUAEZHLNJKMNF-GFCCVEGCSA-N
MW354.30 g/mol
LogP5.01
Rot. Bonds6

About 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7466914) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7466914
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NOS/c1-12(13-6-3-2-4-7-13)10-20-16(21)11-22-17-14(18)8-5-9-15(17)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyGDUAEZHLNJKMNF-GFCCVEGCSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (CID 7466914) is 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is GDUAEZHLNJKMNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-12(13-6-3-2-4-7-13)10-20-16(21)11-22-17-14(18)8-5-9-15(17)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 354.30 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).