N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide

C13H20N2O3S — CID 41448856

IUPACN-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3S/c1-9-10(12(16)14-13(2,3)4)7-6-8-11(9)15-19(5,17)18/h6-8,15H,1-5H3,(H,14,16)
InChIKeyGJLZWRDZEBBZMA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.89
Rot. Bonds3

About N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide

N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide (PubChem CID 41448856) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
PubChem CID41448856
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3S/c1-9-10(12(16)14-13(2,3)4)7-6-8-11(9)15-19(5,17)18/h6-8,15H,1-5H3,(H,14,16)
InChIKeyGJLZWRDZEBBZMA-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
N-tert-butyl-3-(carbamothioylamino)-2-methylbenzamide
CID 169356943
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 43907517
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
N-tert-butyl-3-[[(E)-hex-3-enoyl]amino]-2-methylbenzamide
CID 50950554
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
CID 19062402
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 133165200
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 28570644

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide?
The IUPAC name of N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide (CID 41448856) is N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide.
What is the SMILES notation for N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide?
The canonical SMILES for N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide?
The InChIKey is GJLZWRDZEBBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-10(12(16)14-13(2,3)4)7-6-8-11(9)15-19(5,17)18/h6-8,15H,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide?
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide is sourced from PubChem (CID 41448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).