N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide

C11H14ClNOS — CID 112790205

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-13(11(14)8-15-2)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyIUODVBNCLHMAGO-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.66
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide

N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide (PubChem CID 112790205) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
PubChem CID112790205
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-13(11(14)8-15-2)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyIUODVBNCLHMAGO-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7977956
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60939022
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 64611177

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide (CID 112790205) is N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide is CSCC(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide?
The InChIKey is IUODVBNCLHMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-13(11(14)8-15-2)7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide?
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide has a molecular weight of 243.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide is sourced from PubChem (CID 112790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).