1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide

C18H27N3O4S — CID 109138562

IUPAC1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H27N3O4S/c1-3-4-11-21(2)18(23)16-12-15(16)17(22)20-10-9-13-5-7-14(8-6-13)26(19,24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyYXJGBZDCGACHGT-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.89
Rot. Bonds9

About 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109138562) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109138562
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H27N3O4S/c1-3-4-11-21(2)18(23)16-12-15(16)17(22)20-10-9-13-5-7-14(8-6-13)26(19,24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyYXJGBZDCGACHGT-UHFFFAOYSA-N
XLogP0.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138558
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131648
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024273
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131092
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024272
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109138562) is 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is YXJGBZDCGACHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-4-11-21(2)18(23)16-12-15(16)17(22)20-10-9-13-5-7-14(8-6-13)26(19,24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H2,19,24,25).
What are the key properties of 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 381.50 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).