N-benzyl-N-(2-ethylsulfanylphenyl)acetamide

C17H19NOS — CID 122211662

IUPACN-benzyl-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H19NOS/c1-3-20-17-12-8-7-11-16(17)18(14(2)19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyWWZWAOMQOCVHQT-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.35
Rot. Bonds5

About N-benzyl-N-(2-ethylsulfanylphenyl)acetamide

N-benzyl-N-(2-ethylsulfanylphenyl)acetamide (PubChem CID 122211662) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-benzyl-N-(2-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-ethylsulfanylphenyl)acetamide
PubChem CID122211662
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-benzyl-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H19NOS/c1-3-20-17-12-8-7-11-16(17)18(14(2)19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyWWZWAOMQOCVHQT-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(2-ethylsulfanylphenyl)acetamide (CID 122211662) is N-benzyl-N-(2-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-ethylsulfanylphenyl)acetamide is CCSc1ccccc1N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-(2-ethylsulfanylphenyl)acetamide?
The InChIKey is WWZWAOMQOCVHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-20-17-12-8-7-11-16(17)18(14(2)19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-(2-ethylsulfanylphenyl)acetamide?
N-benzyl-N-(2-ethylsulfanylphenyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 122211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).