N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide

C15H24N2O3S — CID 95625981

IUPACN-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(12(2)21(5,19)20)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyFUVQHNIKPITKBF-NEPJUHHUSA-N
MW312.44 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide (PubChem CID 95625981) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
PubChem CID95625981
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(12(2)21(5,19)20)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyFUVQHNIKPITKBF-NEPJUHHUSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227478
4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227491
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide (CID 95625981) is N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide?
The InChIKey is FUVQHNIKPITKBF-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(12(2)21(5,19)20)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide has a molecular weight of 312.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 95625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).