2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide

C13H20N2O2S — CID 114234940

IUPAC2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-15-13(16)9-18-8-12(14)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyYBTOGOSWVPRRER-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.56
Rot. Bonds7

About 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide

2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide (PubChem CID 114234940) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
PubChem CID114234940
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-15-13(16)9-18-8-12(14)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyYBTOGOSWVPRRER-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
methyl 2-[2-amino-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 64615648
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 119527201
methyl 2-[2-amino-2-(4-methylphenyl)ethyl]sulfanylacetate
CID 64615416
2-[4-(1-aminopropyl)phenyl]sulfanyl-N-ethylacetamide
CID 114233854
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
2-(3-aminobutylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66233283
2-(3-amino-2-methylpropyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66226351
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
CID 15908769
2-(2,3-dihydroxypropylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 79682657
N-ethyl-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112551780

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide (CID 114234940) is 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide is CCNC(=O)CSCC(N)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide?
The InChIKey is YBTOGOSWVPRRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-15-13(16)9-18-8-12(14)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide?
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114234940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).