1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

C14H20N2O3S — CID 56817206

IUPAC1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCCS(N)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-10-7-11(2)9-12(8-10)14(3-4-14)13(17)16-5-6-20(15,18)19/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyZTDRXONQCWBYQG-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.74
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (PubChem CID 56817206) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
PubChem CID56817206
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCCS(N)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-10-7-11(2)9-12(8-10)14(3-4-14)13(17)16-5-6-20(15,18)19/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyZTDRXONQCWBYQG-UHFFFAOYSA-N
XLogP0.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 56586470
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
CID 61128957
2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255604
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701200
1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775
1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55853318
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (CID 56817206) is 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)NCCS(N)(=O)=O)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The InChIKey is ZTDRXONQCWBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-7-11(2)9-12(8-10)14(3-4-14)13(17)16-5-6-20(15,18)19/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56817206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).