2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide

C12H18N2O3S — CID 61128957

IUPAC2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCS(N)(=O)=O)c(C)c1
InChIInChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)12(15)14-4-5-18(13,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyYROHFIXWZWSOIA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.63
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide

2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide (PubChem CID 61128957) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
PubChem CID61128957
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCS(N)(=O)=O)c(C)c1
InChIInChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)12(15)14-4-5-18(13,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyYROHFIXWZWSOIA-UHFFFAOYSA-N
XLogP0.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
2,6-dihydroxy-N-(2-sulfamoylethyl)benzamide
CID 103890316
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
2,4,6-trimethyl-N-pent-4-ynylbenzamide
CID 103867023
1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 56817206

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide (CID 61128957) is 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide is Cc1cc(C)c(C(=O)NCCS(N)(=O)=O)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide?
The InChIKey is YROHFIXWZWSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)12(15)14-4-5-18(13,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide?
2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide has a molecular weight of 270.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 61128957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).