[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

C15H15Cl2N3O5S2 — CID 55320645

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1Cl
InChIInChI=1S/C15H15Cl2N3O5S2/c1-9-10(16)7-18-15(14(9)17)20-11(21)8-25-12(22)4-5-19-27(23,24)13-3-2-6-26-13/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20,21)
InChIKeyWJCCLNMFZBSZOS-UHFFFAOYSA-N
MW452.34 g/mol
LogP2.61
Rot. Bonds8

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 55320645) has the molecular formula C15H15Cl2N3O5S2 and a molecular weight of 452.34 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID55320645
Molecular FormulaC15H15Cl2N3O5S2
Molecular Weight452.34 g/mol
Exact Mass450.98
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1Cl
InChIInChI=1S/C15H15Cl2N3O5S2/c1-9-10(16)7-18-15(14(9)17)20-11(21)8-25-12(22)4-5-19-27(23,24)13-3-2-6-26-13/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20,21)
InChIKeyWJCCLNMFZBSZOS-UHFFFAOYSA-N
XLogP2.61
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate with MolForge

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Related Compounds

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 2414517
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624170
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4853895
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3319367
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 2468453
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 33496459
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55356370

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 55320645) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is Cc1c(Cl)cnc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is WJCCLNMFZBSZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O5S2/c1-9-10(16)7-18-15(14(9)17)20-11(21)8-25-12(22)4-5-19-27(23,24)13-3-2-6-26-13/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20,21).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 452.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 55320645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).