2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide

C20H25NO2S — CID 86107530

IUPAC2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide
SMILESCCC(C(=O)N(C)c1ccccc1)C(O)CCSc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-18(20(23)21(2)16-10-6-4-7-11-16)19(22)14-15-24-17-12-8-5-9-13-17/h4-13,18-19,22H,3,14-15H2,1-2H3
InChIKeyZYTJDUUXDPUGKT-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.22
Rot. Bonds8

About 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide

2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide (PubChem CID 86107530) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide
PubChem CID86107530
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide
SMILESCCC(C(=O)N(C)c1ccccc1)C(O)CCSc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-18(20(23)21(2)16-10-6-4-7-11-16)19(22)14-15-24-17-12-8-5-9-13-17/h4-13,18-19,22H,3,14-15H2,1-2H3
InChIKeyZYTJDUUXDPUGKT-UHFFFAOYSA-N
XLogP4.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide?
The IUPAC name of 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide (CID 86107530) is 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide.
What is the SMILES notation for 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide?
The canonical SMILES for 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide is CCC(C(=O)N(C)c1ccccc1)C(O)CCSc1ccccc1.
What is the InChIKey of 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide?
The InChIKey is ZYTJDUUXDPUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-3-18(20(23)21(2)16-10-6-4-7-11-16)19(22)14-15-24-17-12-8-5-9-13-17/h4-13,18-19,22H,3,14-15H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide?
2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide has a molecular weight of 343.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide is sourced from PubChem (CID 86107530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).