1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene

C11H18N2O4S — CID 70658350

IUPAC1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene
SMILESCOc1ccc(C)cc1O[C@H](C)CNS(N)(=O)=O
InChIInChI=1S/C11H18N2O4S/c1-8-4-5-10(16-3)11(6-8)17-9(2)7-13-18(12,14)15/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyPDOKDAGIQVHVMO-SECBINFHSA-N
MW274.34 g/mol
LogP0.56
Rot. Bonds6

About 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene

1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene (PubChem CID 70658350) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene.

Molecular Properties

Compound Name1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene
PubChem CID70658350
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene
SMILESCOc1ccc(C)cc1O[C@H](C)CNS(N)(=O)=O
InChIInChI=1S/C11H18N2O4S/c1-8-4-5-10(16-3)11(6-8)17-9(2)7-13-18(12,14)15/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyPDOKDAGIQVHVMO-SECBINFHSA-N
XLogP0.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102697579
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methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
1,2-dimethoxy-4-methylbenzene;1,2-dimethoxypropane
CID 90686409
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
CID 144508137
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene?
The IUPAC name of 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene (CID 70658350) is 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene.
What is the SMILES notation for 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene?
The canonical SMILES for 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene is COc1ccc(C)cc1O[C@H](C)CNS(N)(=O)=O.
What is the InChIKey of 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene?
The InChIKey is PDOKDAGIQVHVMO-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-4-5-10(16-3)11(6-8)17-9(2)7-13-18(12,14)15/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15)/t9-/m1/s1.
What are the key properties of 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene?
1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene has a molecular weight of 274.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-2-[(2R)-1-(sulfamoylamino)propan-2-yl]oxybenzene is sourced from PubChem (CID 70658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).