[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

C19H20ClNO3S — CID 2381288

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C19H20ClNO3S/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)11-12-25-17-10-6-5-9-16(17)20/h2-10H,11-14H2,1H3
InChIKeyZOQUMTPCKLJCNP-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.02
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (PubChem CID 2381288) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
PubChem CID2381288
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C19H20ClNO3S/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)11-12-25-17-10-6-5-9-16(17)20/h2-10H,11-14H2,1H3
InChIKeyZOQUMTPCKLJCNP-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42982229
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 41483208
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 112768933
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821249
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-(2-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112778891
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2119073
[2-[benzyl(methyl)amino]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125437

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (CID 2381288) is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is CN(Cc1ccccc1)C(=O)COC(=O)CCSc1ccccc1Cl.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The InChIKey is ZOQUMTPCKLJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)11-12-25-17-10-6-5-9-16(17)20/h2-10H,11-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate has a molecular weight of 377.89 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 2381288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).