1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

C19H30N4O5S2 — CID 22552986

IUPAC1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N4O5S2/c20-29(25,26)18-8-6-16(7-9-18)10-11-21-19(24)17-5-4-14-23(15-17)30(27,28)22-12-2-1-3-13-22/h6-9,17H,1-5,10-15H2,(H,21,24)(H2,20,25,26)
InChIKeyXIFNDWVGOODMLK-UHFFFAOYSA-N
MW458.61 g/mol
LogP0.44
Rot. Bonds7

About 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 22552986) has the molecular formula C19H30N4O5S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID22552986
Molecular FormulaC19H30N4O5S2
Molecular Weight458.61 g/mol
Exact Mass458.17
IUPAC Name1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N4O5S2/c20-29(25,26)18-8-6-16(7-9-18)10-11-21-19(24)17-5-4-14-23(15-17)30(27,28)22-12-2-1-3-13-22/h6-9,17H,1-5,10-15H2,(H,21,24)(H2,20,25,26)
InChIKeyXIFNDWVGOODMLK-UHFFFAOYSA-N
XLogP0.44
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 15999456
N-[2-(4-ethoxyphenyl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20911420
(3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92687039
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
1-(4-bromophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874859
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (CID 22552986) is 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is XIFNDWVGOODMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5S2/c20-29(25,26)18-8-6-16(7-9-18)10-11-21-19(24)17-5-4-14-23(15-17)30(27,28)22-12-2-1-3-13-22/h6-9,17H,1-5,10-15H2,(H,21,24)(H2,20,25,26).
What are the key properties of 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 22552986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).