N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide

C19H24N2O5S — CID 118022010

IUPACN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-4-27(23,24)20-15-5-6-18(26-16-7-8-25-12-16)17(10-15)14-9-13(2)19(22)21(3)11-14/h5-6,9-11,16,20H,4,7-8,12H2,1-3H3
InChIKeyOMKACMAUXSKDLZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide

N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide (PubChem CID 118022010) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
PubChem CID118022010
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-4-27(23,24)20-15-5-6-18(26-16-7-8-25-12-16)17(10-15)14-9-13(2)19(22)21(3)11-14/h5-6,9-11,16,20H,4,7-8,12H2,1-3H3
InChIKeyOMKACMAUXSKDLZ-UHFFFAOYSA-N
XLogP2.29
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide (CID 118022010) is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
The InChIKey is OMKACMAUXSKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-27(23,24)20-15-5-6-18(26-16-7-8-25-12-16)17(10-15)14-9-13(2)19(22)21(3)11-14/h5-6,9-11,16,20H,4,7-8,12H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 118022010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).