[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate

C22H24ClN3O6S — CID 42898298

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H24ClN3O6S/c1-14(20(27)25-18-8-10-19(11-9-18)33(24,30)31)32-22(29)16-3-2-12-26(13-16)21(28)15-4-6-17(23)7-5-15/h4-11,14,16H,2-3,12-13H2,1H3,(H,25,27)(H2,24,30,31)
InChIKeyZAVDYAZLZVLYDL-UHFFFAOYSA-N
MW493.97 g/mol
LogP2.41
Rot. Bonds6

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate (PubChem CID 42898298) has the molecular formula C22H24ClN3O6S and a molecular weight of 493.97 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
PubChem CID42898298
Molecular FormulaC22H24ClN3O6S
Molecular Weight493.97 g/mol
Exact Mass493.11
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H24ClN3O6S/c1-14(20(27)25-18-8-10-19(11-9-18)33(24,30)31)32-22(29)16-3-2-12-26(13-16)21(28)15-4-6-17(23)7-5-15/h4-11,14,16H,2-3,12-13H2,1H3,(H,25,27)(H2,24,30,31)
InChIKeyZAVDYAZLZVLYDL-UHFFFAOYSA-N
XLogP2.41
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 43026297
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 8020238
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 27931571
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528445
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate (CID 42898298) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate is CC(OC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is ZAVDYAZLZVLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O6S/c1-14(20(27)25-18-8-10-19(11-9-18)33(24,30)31)32-22(29)16-3-2-12-26(13-16)21(28)15-4-6-17(23)7-5-15/h4-11,14,16H,2-3,12-13H2,1H3,(H,25,27)(H2,24,30,31).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 493.97 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 42898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).