1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide

C17H24ClN3O5S — CID 126383545

IUPAC1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O5S/c1-11(2)20-27(24,25)13-3-4-15(14(18)9-13)26-10-16(22)21-7-5-12(6-8-21)17(19)23/h3-4,9,11-12,20H,5-8,10H2,1-2H3,(H2,19,23)
InChIKeySXUYBAIPXNIXJN-UHFFFAOYSA-N
MW417.92 g/mol
LogP1.13
Rot. Bonds7

About 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide

1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide (PubChem CID 126383545) has the molecular formula C17H24ClN3O5S and a molecular weight of 417.92 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
PubChem CID126383545
Molecular FormulaC17H24ClN3O5S
Molecular Weight417.92 g/mol
Exact Mass417.11
IUPAC Name1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O5S/c1-11(2)20-27(24,25)13-3-4-15(14(18)9-13)26-10-16(22)21-7-5-12(6-8-21)17(19)23/h3-4,9,11-12,20H,5-8,10H2,1-2H3,(H2,19,23)
InChIKeySXUYBAIPXNIXJN-UHFFFAOYSA-N
XLogP1.13
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
CID 1264172
1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 30504708
1-[2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 3897663
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
CID 16565684
3-chloro-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 126393741
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide
CID 1007870

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide (CID 126383545) is 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1.
What is the InChIKey of 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide?
The InChIKey is SXUYBAIPXNIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5S/c1-11(2)20-27(24,25)13-3-4-15(14(18)9-13)26-10-16(22)21-7-5-12(6-8-21)17(19)23/h3-4,9,11-12,20H,5-8,10H2,1-2H3,(H2,19,23).
What are the key properties of 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide?
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 126383545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).