1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C18H26N4O4S — CID 18207382

IUPAC1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C3CCCCNC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O4S/c19-27(25,26)15-6-4-14(5-7-15)21-17(23)13-8-11-22(12-9-13)16-3-1-2-10-20-18(16)24/h4-7,13,16H,1-3,8-12H2,(H,20,24)(H,21,23)(H2,19,25,26)
InChIKeySHMKZMMKTMKCIE-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 18207382) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID18207382
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C3CCCCNC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O4S/c19-27(25,26)15-6-4-14(5-7-15)21-17(23)13-8-11-22(12-9-13)16-3-1-2-10-20-18(16)24/h4-7,13,16H,1-3,8-12H2,(H,20,24)(H,21,23)(H2,19,25,26)
InChIKeySHMKZMMKTMKCIE-UHFFFAOYSA-N
XLogP0.65
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
N-(4-sulfamoylphenyl)thiane-2-carboxamide
CID 80595906
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]azepan-2-one
CID 42930236
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 18207382) is 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(C3CCCCNC3=O)CC2)cc1.
What is the InChIKey of 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is SHMKZMMKTMKCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c19-27(25,26)15-6-4-14(5-7-15)21-17(23)13-8-11-22(12-9-13)16-3-1-2-10-20-18(16)24/h4-7,13,16H,1-3,8-12H2,(H,20,24)(H,21,23)(H2,19,25,26).
What are the key properties of 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 18207382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).