[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate

C16H16ClNO4S — CID 55308044

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C16H16ClNO4S/c1-18(9-12-4-3-7-23-12)15(19)10-22-16(20)13-8-11(17)5-6-14(13)21-2/h3-8H,9-10H2,1-2H3
InChIKeyBJYHMEQZXXLTRV-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.23
Rot. Bonds6

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 55308044) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID55308044
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C16H16ClNO4S/c1-18(9-12-4-3-7-23-12)15(19)10-22-16(20)13-8-11(17)5-6-14(13)21-2/h3-8H,9-10H2,1-2H3
InChIKeyBJYHMEQZXXLTRV-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 42318884
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 31729782
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530941
1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105094097
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7291398
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847610
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 30656026
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
CID 71978167

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 55308044) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)N(C)Cc1cccs1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is BJYHMEQZXXLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-18(9-12-4-3-7-23-12)15(19)10-22-16(20)13-8-11(17)5-6-14(13)21-2/h3-8H,9-10H2,1-2H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 353.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 55308044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).