2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

C12H18N2O3S — CID 51335107

IUPAC2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10-7-5-6-8-11(10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyBZENBSZFFONALX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.22
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (PubChem CID 51335107) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
PubChem CID51335107
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10-7-5-6-8-11(10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyBZENBSZFFONALX-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
methyl 2-[2-[methyl(methylsulfonyl)amino]phenyl]propanoate
CID 67479231
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18152498

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (CID 51335107) is 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is BZENBSZFFONALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10-7-5-6-8-11(10)14(3)18(4,16)17/h5-9H,1-4H3,(H,13,15).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 51335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).