2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide

C14H22N2O3S — CID 62922364

IUPAC2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-6-14(4,5)16-13(17)11-8-12(20(15,18)19)10(3)7-9(11)2/h7-8H,6H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyAGRMFSINXWYVOR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.87
Rot. Bonds4

About 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide

2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 62922364) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
PubChem CID62922364
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-6-14(4,5)16-13(17)11-8-12(20(15,18)19)10(3)7-9(11)2/h7-8H,6H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyAGRMFSINXWYVOR-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
2,4,6-trimethyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373603
2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373801
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
CID 65042610
pentan-2-yl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103724570
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62046315
3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 115643625
2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103715072
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide (CID 62922364) is 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide is CCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is AGRMFSINXWYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-6-14(4,5)16-13(17)11-8-12(20(15,18)19)10(3)7-9(11)2/h7-8H,6H2,1-5H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 62922364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).