N-(2-benzylsulfanylphenyl)-N-ethylacetamide

C17H19NOS — CID 122211656

IUPACN-(2-benzylsulfanylphenyl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-18(14(2)19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyAIJDNFWDBUIGHX-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.35
Rot. Bonds5

About N-(2-benzylsulfanylphenyl)-N-ethylacetamide

N-(2-benzylsulfanylphenyl)-N-ethylacetamide (PubChem CID 122211656) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-benzylsulfanylphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylphenyl)-N-ethylacetamide
PubChem CID122211656
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2-benzylsulfanylphenyl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-18(14(2)19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyAIJDNFWDBUIGHX-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-(2-benzylsulfanylphenyl)-N-ethylacetamide?
The IUPAC name of N-(2-benzylsulfanylphenyl)-N-ethylacetamide (CID 122211656) is N-(2-benzylsulfanylphenyl)-N-ethylacetamide.
What is the SMILES notation for N-(2-benzylsulfanylphenyl)-N-ethylacetamide?
The canonical SMILES for N-(2-benzylsulfanylphenyl)-N-ethylacetamide is CCN(C(C)=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylphenyl)-N-ethylacetamide?
The InChIKey is AIJDNFWDBUIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-18(14(2)19)16-11-7-8-12-17(16)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of N-(2-benzylsulfanylphenyl)-N-ethylacetamide?
N-(2-benzylsulfanylphenyl)-N-ethylacetamide 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-(2-benzylsulfanylphenyl)-N-ethylacetamide is sourced from PubChem (CID 122211656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).