2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

C18H21NO2S2 — CID 71803813

IUPAC2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S2/c1-22-16-9-7-15(8-10-16)17(20)11-19-18(21)13-23-12-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyNQQSXJDHSMJUTA-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.49
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 71803813) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID71803813
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S2/c1-22-16-9-7-15(8-10-16)17(20)11-19-18(21)13-23-12-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyNQQSXJDHSMJUTA-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 71803813) is 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(O)CNC(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is NQQSXJDHSMJUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-22-16-9-7-15(8-10-16)17(20)11-19-18(21)13-23-12-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 71803813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).