N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide

C19H29N3O4S — CID 167778231

IUPACN-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)C(CO)C2CCC2)CC1
InChIInChI=1S/C19H29N3O4S/c20-27(25,26)21-11-9-17(10-12-21)19(24)22(13-15-5-2-1-3-6-15)18(14-23)16-7-4-8-16/h1-3,5-6,16-18,23H,4,7-14H2,(H2,20,25,26)
InChIKeyKTHNEEPXAJBTLB-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.09
Rot. Bonds7

About N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide

N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 167778231) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide
PubChem CID167778231
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)C(CO)C2CCC2)CC1
InChIInChI=1S/C19H29N3O4S/c20-27(25,26)21-11-9-17(10-12-21)19(24)22(13-15-5-2-1-3-6-15)18(14-23)16-7-4-8-16/h1-3,5-6,16-18,23H,4,7-14H2,(H2,20,25,26)
InChIKeyKTHNEEPXAJBTLB-UHFFFAOYSA-N
XLogP1.09
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
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N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
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4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-N-[(2R)-butan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 41292474
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 110335879
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide (CID 167778231) is N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide is NS(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)C(CO)C2CCC2)CC1.
What is the InChIKey of N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is KTHNEEPXAJBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c20-27(25,26)21-11-9-17(10-12-21)19(24)22(13-15-5-2-1-3-6-15)18(14-23)16-7-4-8-16/h1-3,5-6,16-18,23H,4,7-14H2,(H2,20,25,26).
What are the key properties of N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide?
N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 167778231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).