N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide

C11H14ClNO2S — CID 734363

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSC
InChIInChI=1S/C11H14ClNO2S/c1-7-4-9(13-11(14)6-16-3)10(15-2)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyVAPBMRQMZKGJIW-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.96
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide (PubChem CID 734363) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
PubChem CID734363
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSC
InChIInChI=1S/C11H14ClNO2S/c1-7-4-9(13-11(14)6-16-3)10(15-2)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyVAPBMRQMZKGJIW-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide (CID 734363) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide is COc1cc(Cl)c(C)cc1NC(=O)CSC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide?
The InChIKey is VAPBMRQMZKGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7-4-9(13-11(14)6-16-3)10(15-2)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide has a molecular weight of 259.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 734363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).