2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide

C14H20N2O3S — CID 47077568

IUPAC2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-13(17)9-19-12-6-4-11(5-7-12)16-14(18)10-20-2/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHCHMEFDBIQTGIG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.89
Rot. Bonds8

About 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide

2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide (PubChem CID 47077568) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide
PubChem CID47077568
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-13(17)9-19-12-6-4-11(5-7-12)16-14(18)10-20-2/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHCHMEFDBIQTGIG-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
CID 47059935
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide (CID 47077568) is 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(NC(=O)CSC)cc1.
What is the InChIKey of 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide?
The InChIKey is HCHMEFDBIQTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-8-15-13(17)9-19-12-6-4-11(5-7-12)16-14(18)10-20-2/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide?
2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide is sourced from PubChem (CID 47077568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).