ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate

C19H24N2O6S — CID 12600397

IUPACethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)c(OC)cc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H24N2O6S/c1-5-27-19(22)7-6-14-11-15(25-3)16(26-4)12-17(14)28(23,24)21-18-10-13(2)8-9-20-18/h8-12H,5-7H2,1-4H3,(H,20,21)
InChIKeyHHDSKYPPIQCCNO-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.70
Rot. Bonds9

About ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate

ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate (PubChem CID 12600397) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate
PubChem CID12600397
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Nameethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)c(OC)cc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H24N2O6S/c1-5-27-19(22)7-6-14-11-15(25-3)16(26-4)12-17(14)28(23,24)21-18-10-13(2)8-9-20-18/h8-12H,5-7H2,1-4H3,(H,20,21)
InChIKeyHHDSKYPPIQCCNO-UHFFFAOYSA-N
XLogP2.70
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate (CID 12600397) is ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate is CCOC(=O)CCc1cc(OC)c(OC)cc1S(=O)(=O)Nc1cc(C)ccn1.
What is the InChIKey of ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate?
The InChIKey is HHDSKYPPIQCCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-5-27-19(22)7-6-14-11-15(25-3)16(26-4)12-17(14)28(23,24)21-18-10-13(2)8-9-20-18/h8-12H,5-7H2,1-4H3,(H,20,21).
What are the key properties of ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate?
ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate has a molecular weight of 408.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 12600397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).