(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide

C14H22N2O6S — CID 95623668

IUPAC(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide
SMILESCOC[C@@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1C)C(N)=O
InChIInChI=1S/C14H22N2O6S/c1-9-6-10(21-4)11(22-5)7-12(9)23(18,19)16-14(2,8-20-3)13(15)17/h6-7,16H,8H2,1-5H3,(H2,15,17)/t14-/m1/s1
InChIKeyMOFLXCVXVZZPIR-CQSZACIVSA-N
MW346.41 g/mol
LogP0.18
Rot. Bonds8

About (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide

(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide (PubChem CID 95623668) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide
PubChem CID95623668
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide
SMILESCOC[C@@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1C)C(N)=O
InChIInChI=1S/C14H22N2O6S/c1-9-6-10(21-4)11(22-5)7-12(9)23(18,19)16-14(2,8-20-3)13(15)17/h6-7,16H,8H2,1-5H3,(H2,15,17)/t14-/m1/s1
InChIKeyMOFLXCVXVZZPIR-CQSZACIVSA-N
XLogP0.18
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide?
The IUPAC name of (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide (CID 95623668) is (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide is COC[C@@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1C)C(N)=O.
What is the InChIKey of (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide?
The InChIKey is MOFLXCVXVZZPIR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-9-6-10(21-4)11(22-5)7-12(9)23(18,19)16-14(2,8-20-3)13(15)17/h6-7,16H,8H2,1-5H3,(H2,15,17)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide?
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide has a molecular weight of 346.41 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 95623668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).