3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide

C13H20N2O4S — CID 41448762

IUPAC3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-9-5-6-11(7-12(9)15-20(4,17)18)13(16)14-10(2)8-19-3/h5-7,10,15H,8H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyLXFKPTVMTLEEGD-SNVBAGLBSA-N
MW300.38 g/mol
LogP1.13
Rot. Bonds6

About 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide

3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide (PubChem CID 41448762) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
PubChem CID41448762
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-9-5-6-11(7-12(9)15-20(4,17)18)13(16)14-10(2)8-19-3/h5-7,10,15H,8H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyLXFKPTVMTLEEGD-SNVBAGLBSA-N
XLogP1.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 99845628
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
3-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)-4-methylbenzamide
CID 81476031
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide (CID 41448762) is 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide is COC[C@@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide?
The InChIKey is LXFKPTVMTLEEGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-5-6-11(7-12(9)15-20(4,17)18)13(16)14-10(2)8-19-3/h5-7,10,15H,8H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide?
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 41448762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).