2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide

C13H19NO4S — CID 95171532

IUPAC2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N(C)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-10(9-19(4,16)17)14(2)13(15)11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyQVAJIAPVTDAJIS-SNVBAGLBSA-N
MW285.37 g/mol
LogP1.20
Rot. Bonds5

About 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide

2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide (PubChem CID 95171532) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
PubChem CID95171532
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N(C)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-10(9-19(4,16)17)14(2)13(15)11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyQVAJIAPVTDAJIS-SNVBAGLBSA-N
XLogP1.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
[5-[[butan-2-yl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4690697
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
1-(2-bromophenyl)-N,2,5-trimethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]pyrrole-3-carboxamide
CID 99807299
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide (CID 95171532) is 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide is COc1ccccc1C(=O)N(C)[C@H](C)CS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The InChIKey is QVAJIAPVTDAJIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(9-19(4,16)17)14(2)13(15)11-7-5-6-8-12(11)18-3/h5-8,10H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide is sourced from PubChem (CID 95171532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).