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

C17H23N3O5S — CID 108973072

IUPAC1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H23N3O5S/c18-26(23,24)14-3-1-13(2-4-14)5-8-19-15(21)17(6-7-17)16(22)20-9-11-25-12-10-20/h1-4H,5-12H2,(H,19,21)(H2,18,23,24)
InChIKeyCREKMRKZSDVBOQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP-0.37
Rot. Bonds6

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

1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 108973072) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID108973072
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H23N3O5S/c18-26(23,24)14-3-1-13(2-4-14)5-8-19-15(21)17(6-7-17)16(22)20-9-11-25-12-10-20/h1-4H,5-12H2,(H,19,21)(H2,18,23,24)
InChIKeyCREKMRKZSDVBOQ-UHFFFAOYSA-N
XLogP-0.37
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108971987
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109184599
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707
2,2-dichloro-1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 46651331
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931

Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 108973072) is 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CREKMRKZSDVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c18-26(23,24)14-3-1-13(2-4-14)5-8-19-15(21)17(6-7-17)16(22)20-9-11-25-12-10-20/h1-4H,5-12H2,(H,19,21)(H2,18,23,24).
What are the key properties of 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 381.45 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-4-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108973072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).