N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide

C13H19NO3S — CID 134058555

IUPACN-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
SMILESCC(C)CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-14(3)13(15)11-5-7-12(8-6-11)18(4,16)17/h5-8,10H,9H2,1-4H3
InChIKeyGJBOEHPYJZAVRZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide

N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide (PubChem CID 134058555) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
PubChem CID134058555
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
SMILESCC(C)CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-14(3)13(15)11-5-7-12(8-6-11)18(4,16)17/h5-8,10H,9H2,1-4H3
InChIKeyGJBOEHPYJZAVRZ-UHFFFAOYSA-N
XLogP1.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-methylsulfonylbenzamide
CID 34763907
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55567017

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide (CID 134058555) is N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide is CC(C)CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide?
The InChIKey is GJBOEHPYJZAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(2)9-14(3)13(15)11-5-7-12(8-6-11)18(4,16)17/h5-8,10H,9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide?
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide has a molecular weight of 269.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 134058555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).