2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

C12H15Cl2NOS — CID 134058084

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyBLJOSRMCEXDBCO-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 134058084) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID134058084
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyBLJOSRMCEXDBCO-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

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 99824628
2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225359
N-[(2S)-butan-2-yl]-2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 99824619
methyl 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 134026477
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(methylamino)propyl]acetamide
CID 119431045
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 134017055
N-(1-aminopropan-2-yl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methylacetamide
CID 119582608
N-(cyclobutylmethyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
CID 60578541
N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 132667716
methyl 4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]butanoate
CID 134021321
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132676007

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (CID 134058084) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is BLJOSRMCEXDBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-8(2)15-12(16)7-17-6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[(2,4-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-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 134058084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).