[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

C19H19Cl2N3O6S — CID 2498507

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O6S/c1-12(25)23-13-5-7-14(8-6-13)24-17(26)11-30-18(27)9-10-22-31(28,29)19-15(20)3-2-4-16(19)21/h2-8,22H,9-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWJVDOAWMTCJUCR-UHFFFAOYSA-N
MW488.35 g/mol
LogP2.80
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 2498507) has the molecular formula C19H19Cl2N3O6S and a molecular weight of 488.35 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
PubChem CID2498507
Molecular FormulaC19H19Cl2N3O6S
Molecular Weight488.35 g/mol
Exact Mass487.04
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O6S/c1-12(25)23-13-5-7-14(8-6-13)24-17(26)11-30-18(27)9-10-22-31(28,29)19-15(20)3-2-4-16(19)21/h2-8,22H,9-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyWJVDOAWMTCJUCR-UHFFFAOYSA-N
XLogP2.80
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 16340175
2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
CID 2363156
[2-(3-Chloroanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602574
[2-[4-Chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 4645455
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2999038
[2-(2-Chloroanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2098193
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 2426055
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 3923053
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 4372202
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 4677155
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 5157220
[2-(4-Chloro-2-methylanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7909279

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (CID 2498507) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is WJVDOAWMTCJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O6S/c1-12(25)23-13-5-7-14(8-6-13)24-17(26)11-30-18(27)9-10-22-31(28,29)19-15(20)3-2-4-16(19)21/h2-8,22H,9-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 488.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2498507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).