methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate

C13H16ClNO3S — CID 54979578

IUPACmethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H16ClNO3S/c1-3-15(8-13(17)18-2)12(16)9-19-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
InChIKeyCYWBGAZCGXKMHA-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.45
Rot. Bonds6

About methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate

methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate (PubChem CID 54979578) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
PubChem CID54979578
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Namemethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H16ClNO3S/c1-3-15(8-13(17)18-2)12(16)9-19-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
InChIKeyCYWBGAZCGXKMHA-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
CID 61383260
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
2-[butan-2-yl-[2-(2-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 60829065
methyl 2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460841
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
ethyl 5-(2-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323392
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate (CID 54979578) is methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)CSc1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate?
The InChIKey is CYWBGAZCGXKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-3-15(8-13(17)18-2)12(16)9-19-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate?
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate has a molecular weight of 301.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate is sourced from PubChem (CID 54979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).