1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C18H25N3O4S — CID 108971987

IUPAC1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O4S/c19-26(24,25)15-6-4-14(5-7-15)8-11-20-16(22)18(9-10-18)17(23)21-12-2-1-3-13-21/h4-7H,1-3,8-13H2,(H,20,22)(H2,19,24,25)
InChIKeyMNGJTTZVGBALEN-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.79
Rot. Bonds6

About 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 108971987) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID108971987
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O4S/c19-26(24,25)15-6-4-14(5-7-15)8-11-20-16(22)18(9-10-18)17(23)21-12-2-1-3-13-21/h4-7H,1-3,8-13H2,(H,20,22)(H2,19,24,25)
InChIKeyMNGJTTZVGBALEN-UHFFFAOYSA-N
XLogP0.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108973072
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
2,2-dichloro-1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 46651331
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
ethyl 4-[1-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108977457
1-(azepane-1-carbonyl)-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 108976074
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
1-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 17460142

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 108971987) is 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MNGJTTZVGBALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c19-26(24,25)15-6-4-14(5-7-15)8-11-20-16(22)18(9-10-18)17(23)21-12-2-1-3-13-21/h4-7H,1-3,8-13H2,(H,20,22)(H2,19,24,25).
What are the key properties of 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108971987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).