3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide

C12H18N2O3S — CID 41454413

IUPAC3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)13-12(15)10-6-5-7-11(9(10)3)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15)
InChIKeyFEQXCTFTGXFQLA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.50
Rot. Bonds4

About 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide

3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide (PubChem CID 41454413) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
PubChem CID41454413
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)13-12(15)10-6-5-7-11(9(10)3)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15)
InChIKeyFEQXCTFTGXFQLA-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 43907517
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 133165200
3-(methanesulfonamido)-2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042413
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 60556544
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 28570644
3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012657
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide (CID 41454413) is 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)C.
What is the InChIKey of 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is FEQXCTFTGXFQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)13-12(15)10-6-5-7-11(9(10)3)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15).
What are the key properties of 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide?
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 41454413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).