[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

C17H16Cl2N2O5S — CID 2079202

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-11-2-4-13(5-3-11)27(24,25)7-6-16(23)26-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyBUZMITYLYOZNNE-UHFFFAOYSA-N
MW431.30 g/mol
LogP3.04
Rot. Bonds7

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (PubChem CID 2079202) has the molecular formula C17H16Cl2N2O5S and a molecular weight of 431.30 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
PubChem CID2079202
Molecular FormulaC17H16Cl2N2O5S
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-11-2-4-13(5-3-11)27(24,25)7-6-16(23)26-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyBUZMITYLYOZNNE-UHFFFAOYSA-N
XLogP3.04
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate 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

3-[4-(4-Morpholinylsulfonyl)phenyl]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2096878
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2100678
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 2352032
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 2386469
[2-[(3,5-Dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate
CID 2420674
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4060527
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 24980615
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 1235786
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2377339
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2401643
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2377635
3-(Benzenesulfonyl)propanoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2472510

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (CID 2079202) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate is Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The InChIKey is BUZMITYLYOZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5S/c1-11-2-4-13(5-3-11)27(24,25)7-6-16(23)26-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate has a molecular weight of 431.30 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate is sourced from PubChem (CID 2079202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).