2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

C12H15Cl2NOS — CID 2467184

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyCBIVDKVLMQKERN-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 2467184) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID2467184
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyCBIVDKVLMQKERN-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide 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

3-(2,4-dichlorophenyl)-N-[2-(phenylthio)ethyl]acrylamide
CID 2283517
2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(4-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 5215887
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
2-((Bis(4-chlorophenyl)methyl)thio)-N-propylacetamide
CID 76332748
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
N-(tert-butyl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 848217

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (CID 2467184) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is CBIVDKVLMQKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide has a molecular weight of 292.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2467184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).