N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

C12H17NOS — CID 875559

IUPACN-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13-12(14)9-15-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyGKFAHJXXJSMRNS-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 875559) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID875559
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C12H17NOS/c1-3-13-12(14)9-15-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyGKFAHJXXJSMRNS-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 875559) is N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is CCNC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is GKFAHJXXJSMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-13-12(14)9-15-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 223.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).