2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide

C14H18Cl2N2O2S — CID 9301227

IUPAC2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2S/c1-9(2)18-13(19)6-17-14(20)8-21-7-10-3-4-11(15)12(16)5-10/h3-5,9H,6-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIEKMYAUYYTUKGS-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.87
Rot. Bonds7

About 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9301227) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9301227
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2S/c1-9(2)18-13(19)6-17-14(20)8-21-7-10-3-4-11(15)12(16)5-10/h3-5,9H,6-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIEKMYAUYYTUKGS-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-heptylacetamide
CID 17309862
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220345
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 28569554
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92673206
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132735262
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
2-[(2,6-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 132683391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide (CID 9301227) is 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is IEKMYAUYYTUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c1-9(2)18-13(19)6-17-14(20)8-21-7-10-3-4-11(15)12(16)5-10/h3-5,9H,6-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 349.28 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9301227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).