2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C14H20N2O3S — CID 103839225

IUPAC2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(C)C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-9(16-13(17)12-8-14(12,2)3)10-5-4-6-11(7-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyBVRUZJUXVZFGNV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.56
Rot. Bonds4

About 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 103839225) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID103839225
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(C)C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-9(16-13(17)12-8-14(12,2)3)10-5-4-6-11(7-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyBVRUZJUXVZFGNV-UHFFFAOYSA-N
XLogP1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride
CID 107000623
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 60668579
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 103839225) is 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1CC1(C)C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BVRUZJUXVZFGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(16-13(17)12-8-14(12,2)3)10-5-4-6-11(7-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103839225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).