(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C16H14Cl2N2O4S — CID 3158541

IUPAC(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23)
InChIKeyLFFLSTYXVYBVFC-UHFFFAOYSA-N
MW401.27 g/mol
LogP2.64
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3158541) has the molecular formula C16H14Cl2N2O4S and a molecular weight of 401.27 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3158541
Molecular FormulaC16H14Cl2N2O4S
Molecular Weight401.27 g/mol
Exact Mass400.01
IUPAC Name(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23)
InChIKeyLFFLSTYXVYBVFC-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]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

[(Thiophene-2-carbonyl)-amino]-acetic acid 4-chloro-benzyl ester
CID 755838
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2428702
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 4-chloro-benzyl ester
CID 1619220
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2079210
(4-Fluorophenyl)methyl 2-{2-[(thiophen-2-YL)formamido]acetamido}acetate
CID 3158551
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158554
methyl 4-({[N-(2-thienylcarbonyl)glycyl]oxy}methyl)benzoate
CID 894944
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-chloro-6-fluoro-benzyl ester
CID 954147
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
2-bromobenzyl N-(2-thienylcarbonyl)glycylglycinate
CID 2233124
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502933

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3158541) is (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is LFFLSTYXVYBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23).
What are the key properties of (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
(2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 401.27 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3158541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).