N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide

C19H23NO4S — CID 10498811

IUPACN-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(OCC(O)COc2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-25-12-11-19(22)20-15-7-9-18(10-8-15)24-14-16(21)13-23-17-5-3-2-4-6-17/h2-10,16,21H,11-14H2,1H3,(H,20,22)
InChIKeyVWWQDWBOGARJCJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.20
Rot. Bonds10

About N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide

N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide (PubChem CID 10498811) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
PubChem CID10498811
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(OCC(O)COc2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-25-12-11-19(22)20-15-7-9-18(10-8-15)24-14-16(21)13-23-17-5-3-2-4-6-17/h2-10,16,21H,11-14H2,1H3,(H,20,22)
InChIKeyVWWQDWBOGARJCJ-UHFFFAOYSA-N
XLogP3.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide (CID 10498811) is N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(OCC(O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide?
The InChIKey is VWWQDWBOGARJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-25-12-11-19(22)20-15-7-9-18(10-8-15)24-14-16(21)13-23-17-5-3-2-4-6-17/h2-10,16,21H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide?
N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide has a molecular weight of 361.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 10498811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).