N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide

C16H23NO3S — CID 56785834

IUPACN-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCSC(C)c1cccc(NC(=O)COCC2CCCO2)c1
InChIInChI=1S/C16H23NO3S/c1-12(21-2)13-5-3-6-14(9-13)17-16(18)11-19-10-15-7-4-8-20-15/h3,5-6,9,12,15H,4,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyLNOCISKVTUNFLE-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.24
Rot. Bonds7

About N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 56785834) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID56785834
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCSC(C)c1cccc(NC(=O)COCC2CCCO2)c1
InChIInChI=1S/C16H23NO3S/c1-12(21-2)13-5-3-6-14(9-13)17-16(18)11-19-10-15-7-4-8-20-15/h3,5-6,9,12,15H,4,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyLNOCISKVTUNFLE-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
2-[3-(oxolan-2-ylmethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111036028
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 96570205
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 56785834) is N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide is CSC(C)c1cccc(NC(=O)COCC2CCCO2)c1.
What is the InChIKey of N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is LNOCISKVTUNFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12(21-2)13-5-3-6-14(9-13)17-16(18)11-19-10-15-7-4-8-20-15/h3,5-6,9,12,15H,4,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 309.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 56785834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).