[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C17H18ClN3O6S — CID 2530755

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NC(=O)c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O6S/c1-20-9-3-4-14(20)17(24)19-15(22)11-27-16(23)10-21(2)28(25,26)13-7-5-12(18)6-8-13/h3-9H,10-11H2,1-2H3,(H,19,22,24)
InChIKeyFUJBHNHZYCWDEN-UHFFFAOYSA-N
MW427.87 g/mol
LogP0.80
Rot. Bonds7

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 2530755) has the molecular formula C17H18ClN3O6S and a molecular weight of 427.87 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID2530755
Molecular FormulaC17H18ClN3O6S
Molecular Weight427.87 g/mol
Exact Mass427.06
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NC(=O)c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O6S/c1-20-9-3-4-14(20)17(24)19-15(22)11-27-16(23)10-21(2)28(25,26)13-7-5-12(18)6-8-13/h3-9H,10-11H2,1-2H3,(H,19,22,24)
InChIKeyFUJBHNHZYCWDEN-UHFFFAOYSA-N
XLogP0.80
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]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-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16333854
N-(4-chloro-2-methylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16034620
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2125065
[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2481198
[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 2998305
N-(3-Chlorophenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519047
N-(4-chlorobenzyl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide
CID 22519130
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2467735
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 3899886
N-(5-Chloro-2-methylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16017833
N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519049

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 2530755) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(=O)NC(=O)c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is FUJBHNHZYCWDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O6S/c1-20-9-3-4-14(20)17(24)19-15(22)11-27-16(23)10-21(2)28(25,26)13-7-5-12(18)6-8-13/h3-9H,10-11H2,1-2H3,(H,19,22,24).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 427.87 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 2530755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).