[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate

C23H29ClN2O6S — CID 42972484

IUPAC[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C23H29ClN2O6S/c1-5-26(6-2)33(29,30)19-10-11-20(24)21(15-19)25-23(28)17(4)32-22(27)12-13-31-18-9-7-8-16(3)14-18/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,25,28)
InChIKeyCOKNOBZAUXZOBC-UHFFFAOYSA-N
MW497.01 g/mol
LogP4.02
Rot. Bonds11

About [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate

[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate (PubChem CID 42972484) has the molecular formula C23H29ClN2O6S and a molecular weight of 497.01 g/mol. Its IUPAC name is [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
PubChem CID42972484
Molecular FormulaC23H29ClN2O6S
Molecular Weight497.01 g/mol
Exact Mass496.14
IUPAC Name[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C23H29ClN2O6S/c1-5-26(6-2)33(29,30)19-10-11-20(24)21(15-19)25-23(28)17(4)32-22(27)12-13-31-18-9-7-8-16(3)14-18/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,25,28)
InChIKeyCOKNOBZAUXZOBC-UHFFFAOYSA-N
XLogP4.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139334
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139404
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate
CID 46619102
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 43034077
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026
[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2505822

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate (CID 42972484) is [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OC(=O)CCOc2cccc(C)c2)c1.
What is the InChIKey of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate?
The InChIKey is COKNOBZAUXZOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O6S/c1-5-26(6-2)33(29,30)19-10-11-20(24)21(15-19)25-23(28)17(4)32-22(27)12-13-31-18-9-7-8-16(3)14-18/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,25,28).
What are the key properties of [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate?
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate has a molecular weight of 497.01 g/mol, XLogP of 4.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 42972484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).