methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate

C15H21NO4S — CID 61383260

IUPACmethyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
SMILESCCOc1ccc(SCC(=O)N(CC)CC(=O)OC)cc1
InChIInChI=1S/C15H21NO4S/c1-4-16(10-15(18)19-3)14(17)11-21-13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyYFOLDXSDFCXHDC-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.20
Rot. Bonds8

About methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate

methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate (PubChem CID 61383260) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
PubChem CID61383260
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
SMILESCCOc1ccc(SCC(=O)N(CC)CC(=O)OC)cc1
InChIInChI=1S/C15H21NO4S/c1-4-16(10-15(18)19-3)14(17)11-21-13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyYFOLDXSDFCXHDC-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
CID 54979578
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 86912273
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-[carboxymethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 63651913
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate (CID 61383260) is methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate is CCOc1ccc(SCC(=O)N(CC)CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate?
The InChIKey is YFOLDXSDFCXHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-4-16(10-15(18)19-3)14(17)11-21-13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate?
methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate has a molecular weight of 311.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate is sourced from PubChem (CID 61383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).