[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate

C20H22Cl2N2O6S — CID 26534740

IUPAC[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
SMILESCC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C20H22Cl2N2O6S/c1-9-17(12(4)25)10(2)23-18(9)19(26)13(5)30-20(27)11(3)24-31(28,29)14-6-7-15(21)16(22)8-14/h6-8,11,13,23-24H,1-5H3/t11-,13-/m0/s1
InChIKeyFRRVSYYUJARLGB-AAEUAGOBSA-N
MW489.38 g/mol
LogP3.62
Rot. Bonds8

About [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate

[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 26534740) has the molecular formula C20H22Cl2N2O6S and a molecular weight of 489.38 g/mol. Its IUPAC name is [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
PubChem CID26534740
Molecular FormulaC20H22Cl2N2O6S
Molecular Weight489.38 g/mol
Exact Mass488.06
IUPAC Name[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
SMILESCC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C20H22Cl2N2O6S/c1-9-17(12(4)25)10(2)23-18(9)19(26)13(5)30-20(27)11(3)24-31(28,29)14-6-7-15(21)16(22)8-14/h6-8,11,13,23-24H,1-5H3/t11-,13-/m0/s1
InChIKeyFRRVSYYUJARLGB-AAEUAGOBSA-N
XLogP3.62
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate 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

[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 8840715
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 8744276
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565701
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 8647709
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8653257
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8939650
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 8938836
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 46610424
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] benzoate
CID 40699203
[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565638
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 8886155

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate (CID 26534740) is [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate is CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is FRRVSYYUJARLGB-AAEUAGOBSA-N. The full InChI is InChI=1S/C20H22Cl2N2O6S/c1-9-17(12(4)25)10(2)23-18(9)19(26)13(5)30-20(27)11(3)24-31(28,29)14-6-7-15(21)16(22)8-14/h6-8,11,13,23-24H,1-5H3/t11-,13-/m0/s1.
What are the key properties of [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 489.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 26534740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).