N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide

C14H20N2O3S — CID 63994388

IUPACN-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H20N2O3S/c1-9-3-6-12(20(15,18)19)8-13(9)14(17)16-10(2)7-11-4-5-11/h3,6,8,10-11H,4-5,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyCEBIJZZAPLMWFY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.56
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide

N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 63994388) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
PubChem CID63994388
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H20N2O3S/c1-9-3-6-12(20(15,18)19)8-13(9)14(17)16-10(2)7-11-4-5-11/h3,6,8,10-11H,4-5,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyCEBIJZZAPLMWFY-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide (CID 63994388) is N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is CEBIJZZAPLMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-3-6-12(20(15,18)19)8-13(9)14(17)16-10(2)7-11-4-5-11/h3,6,8,10-11H,4-5,7H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide?
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 63994388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).