3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide

C17H20N2O3S — CID 75385127

IUPAC3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
SMILESCS(=O)c1ccc(CNc2ccccc2OCCC(N)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-23(21)14-8-6-13(7-9-14)12-19-15-4-2-3-5-16(15)22-11-10-17(18)20/h2-9,19H,10-12H2,1H3,(H2,18,20)
InChIKeyNFKYFMOJLQJYKV-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.29
Rot. Bonds8

About 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide

3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide (PubChem CID 75385127) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
PubChem CID75385127
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
SMILESCS(=O)c1ccc(CNc2ccccc2OCCC(N)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-23(21)14-8-6-13(7-9-14)12-19-15-4-2-3-5-16(15)22-11-10-17(18)20/h2-9,19H,10-12H2,1H3,(H2,18,20)
InChIKeyNFKYFMOJLQJYKV-UHFFFAOYSA-N
XLogP2.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
CID 62743092
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 71913381
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
3-(2-ethoxyanilino)propanamide
CID 43131857

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide (CID 75385127) is 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide is CS(=O)c1ccc(CNc2ccccc2OCCC(N)=O)cc1.
What is the InChIKey of 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide?
The InChIKey is NFKYFMOJLQJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-23(21)14-8-6-13(7-9-14)12-19-15-4-2-3-5-16(15)22-11-10-17(18)20/h2-9,19H,10-12H2,1H3,(H2,18,20).
What are the key properties of 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide?
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 75385127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).