N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide

C13H20N2O3S — CID 28579520

IUPACN-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)13(16)9-14-11-5-7-12(8-6-11)19(4,17)18/h5-8,10,14H,9H2,1-4H3
InChIKeyACGISYPHLIJVOA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide

N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 28579520) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
PubChem CID28579520
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)13(16)9-14-11-5-7-12(8-6-11)19(4,17)18/h5-8,10,14H,9H2,1-4H3
InChIKeyACGISYPHLIJVOA-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
CID 60871653
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
ethyl 2-[(4-methylsulfonylanilino)methyl]prop-2-enoate
CID 103233948
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
4-methyl-5-(4-methylsulfonylanilino)pentanoic acid
CID 82682615
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 65035671

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide (CID 28579520) is N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is ACGISYPHLIJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)15(3)13(16)9-14-11-5-7-12(8-6-11)19(4,17)18/h5-8,10,14H,9H2,1-4H3.
What are the key properties of N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide?
N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 284.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 28579520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).