N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide

C13H20N2O3S — CID 60656146

IUPACN-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H20N2O3S/c1-8-6-10(12(16)15-13(3,4)5)7-11(9(8)2)19(14,17)18/h6-7H,1-5H3,(H,15,16)(H2,14,17,18)
InChIKeySTAJYUXRBGIPHV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.48
Rot. Bonds2

About N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide

N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 60656146) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID60656146
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H20N2O3S/c1-8-6-10(12(16)15-13(3,4)5)7-11(9(8)2)19(14,17)18/h6-7H,1-5H3,(H,15,16)(H2,14,17,18)
InChIKeySTAJYUXRBGIPHV-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide 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

3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 115643625
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate
CID 55423707
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
CID 119235149
3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
CID 166201010
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 104581692
N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 34857713
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide (CID 60656146) is N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)NC(C)(C)C)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is STAJYUXRBGIPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8-6-10(12(16)15-13(3,4)5)7-11(9(8)2)19(14,17)18/h6-7H,1-5H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide?
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 60656146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).