[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C16H15ClN2O4S — CID 7899204

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C16H15ClN2O4S/c17-12-5-3-11(4-6-12)16(22)19-9-15(21)23-10-14(20)18-8-13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyDWWJFPRCHYKFOA-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.99
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7899204) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7899204
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C16H15ClN2O4S/c17-12-5-3-11(4-6-12)16(22)19-9-15(21)23-10-14(20)18-8-13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22)
InChIKeyDWWJFPRCHYKFOA-UHFFFAOYSA-N
XLogP1.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 2481072
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171
(2-oxo-2-thiophen-2-ylethyl) 2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]acetate
CID 3518891
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878582
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380339
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2555289
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 7899204) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is DWWJFPRCHYKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-12-5-3-11(4-6-12)16(22)19-9-15(21)23-10-14(20)18-8-13-2-1-7-24-13/h1-7H,8-10H2,(H,18,20)(H,19,22).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 366.83 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).