N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide

C14H22N2O3S — CID 50945543

IUPACN-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCCCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-6-9-15-14(17)12-8-7-11(2)13(10-12)16(3)20(4,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyNHLPRLLLGGJREA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.92
Rot. Bonds6

About N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide

N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 50945543) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID50945543
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCCCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-6-9-15-14(17)12-8-7-11(2)13(10-12)16(3)20(4,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyNHLPRLLLGGJREA-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 133250814
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 50945337
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-amino-3-methyl-N-octylbenzamide
CID 115565914
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
4-(dimethylamino)-N-heptylbenzamide
CID 86046283

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide (CID 50945543) is N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide is CCCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is NHLPRLLLGGJREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-6-9-15-14(17)12-8-7-11(2)13(10-12)16(3)20(4,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 50945543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).