1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide

C21H26F2N2O4S — CID 166160710

IUPAC1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide
SMILESCC(C)Oc1cccc(F)c1F.CC1CCC(C(=O)Nc2cc(S(C)=O)ccn2)O1
InChIInChI=1S/C12H16N2O3S.C9H10F2O/c1-8-3-4-10(17-8)12(15)14-11-7-9(18(2)16)5-6-13-11;1-6(2)12-8-5-3-4-7(10)9(8)11/h5-8,10H,3-4H2,1-2H3,(H,13,14,15);3-6H,1-2H3
InChIKeyRKRGUQWGRXRZNN-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.08
Rot. Bonds5

About 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide

1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide (PubChem CID 166160710) has the molecular formula C21H26F2N2O4S and a molecular weight of 440.51 g/mol. Its IUPAC name is 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide
PubChem CID166160710
Molecular FormulaC21H26F2N2O4S
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide
SMILESCC(C)Oc1cccc(F)c1F.CC1CCC(C(=O)Nc2cc(S(C)=O)ccn2)O1
InChIInChI=1S/C12H16N2O3S.C9H10F2O/c1-8-3-4-10(17-8)12(15)14-11-7-9(18(2)16)5-6-13-11;1-6(2)12-8-5-3-4-7(10)9(8)11/h5-8,10H,3-4H2,1-2H3,(H,13,14,15);3-6H,1-2H3
InChIKeyRKRGUQWGRXRZNN-UHFFFAOYSA-N
XLogP4.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide (CID 166160710) is 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide is CC(C)Oc1cccc(F)c1F.CC1CCC(C(=O)Nc2cc(S(C)=O)ccn2)O1.
What is the InChIKey of 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide?
The InChIKey is RKRGUQWGRXRZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S.C9H10F2O/c1-8-3-4-10(17-8)12(15)14-11-7-9(18(2)16)5-6-13-11;1-6(2)12-8-5-3-4-7(10)9(8)11/h5-8,10H,3-4H2,1-2H3,(H,13,14,15);3-6H,1-2H3.
What are the key properties of 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide?
1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).