N-(4-ethylphenyl)-2-methylsulfanylacetamide

C11H15NOS — CID 974627

IUPACN-(4-ethylphenyl)-2-methylsulfanylacetamide
SMILESCCc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C11H15NOS/c1-3-9-4-6-10(7-5-9)12-11(13)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyLCLPCPJWDZDHJI-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.55
Rot. Bonds4

About N-(4-ethylphenyl)-2-methylsulfanylacetamide

N-(4-ethylphenyl)-2-methylsulfanylacetamide (PubChem CID 974627) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methylsulfanylacetamide
PubChem CID974627
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(4-ethylphenyl)-2-methylsulfanylacetamide
SMILESCCc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C11H15NOS/c1-3-9-4-6-10(7-5-9)12-11(13)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyLCLPCPJWDZDHJI-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-methylsulfanylacetamide (CID 974627) is N-(4-ethylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methylsulfanylacetamide is CCc1ccc(NC(=O)CSC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methylsulfanylacetamide?
The InChIKey is LCLPCPJWDZDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-9-4-6-10(7-5-9)12-11(13)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13).
What are the key properties of N-(4-ethylphenyl)-2-methylsulfanylacetamide?
N-(4-ethylphenyl)-2-methylsulfanylacetamide has a molecular weight of 209.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 974627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).