N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide

C14H22N2O4S — CID 115661128

IUPACN-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C14H22N2O4S/c1-9-6-10(2)12(21(15,18)19)7-11(9)13(17)16-8-14(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyLQGCGWZSLCPKHD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.11
Rot. Bonds5

About N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide

N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 115661128) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
PubChem CID115661128
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C14H22N2O4S/c1-9-6-10(2)12(21(15,18)19)7-11(9)13(17)16-8-14(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyLQGCGWZSLCPKHD-UHFFFAOYSA-N
XLogP1.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364
5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 104655119
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
4-fluoro-3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 104766624
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide (CID 115661128) is N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide is COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is LQGCGWZSLCPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-6-10(2)12(21(15,18)19)7-11(9)13(17)16-8-14(3,4)20-5/h6-7H,8H2,1-5H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide?
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 115661128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).