2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide

C10H11Cl2NOS — CID 47115195

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyAWLLXYOHFXVVMA-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.22
Rot. Bonds3

About 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide

2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 47115195) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
PubChem CID47115195
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyAWLLXYOHFXVVMA-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8957069
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7466947
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7847873
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43304841
(2S)-N-carbamoyl-2-(2,6-dichlorophenyl)sulfanyl-3-methylbutanamide
CID 7847857

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide (CID 47115195) is 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide is CNC(=O)C(C)Sc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is AWLLXYOHFXVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c1-6(10(14)13-2)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide?
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 264.18 g/mol, XLogP of 3.22, 3 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-methylpropanamide is sourced from PubChem (CID 47115195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).