5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide

C15H24N2O3S — CID 64642886

IUPAC5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-8-16-14-7-6-11(2)9-13(14)15(18)17-12(3)10-21(4,19)20/h6-7,9,12,16H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyASVOAURUQAMTKC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.98
Rot. Bonds7

About 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide

5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide (PubChem CID 64642886) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
PubChem CID64642886
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-8-16-14-7-6-11(2)9-13(14)15(18)17-12(3)10-21(4,19)20/h6-7,9,12,16H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyASVOAURUQAMTKC-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
CID 62510998
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
5-methyl-N-(1-methylcyclopropyl)-2-(propylamino)benzamide
CID 113485988
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide?
The IUPAC name of 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide (CID 64642886) is 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide?
The canonical SMILES for 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)NC(C)CS(C)(=O)=O.
What is the InChIKey of 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide?
The InChIKey is ASVOAURUQAMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-8-16-14-7-6-11(2)9-13(14)15(18)17-12(3)10-21(4,19)20/h6-7,9,12,16H,5,8,10H2,1-4H3,(H,17,18).
What are the key properties of 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide?
5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide has a molecular weight of 312.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 64642886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).