3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide

C17H20N2O4S — CID 99123163

IUPAC3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide
SMILESCOc1ccccc1CC(C)(C)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,11-13-7-4-5-9-15(13)23-3)16(20)19-24(21,22)14-8-6-10-18-12-14/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyIRXFFILXHKYTDX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.16
Rot. Bonds6

About 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide

3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 99123163) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide
PubChem CID99123163
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide
SMILESCOc1ccccc1CC(C)(C)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,11-13-7-4-5-9-15(13)23-3)16(20)19-24(21,22)14-8-6-10-18-12-14/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyIRXFFILXHKYTDX-UHFFFAOYSA-N
XLogP2.16
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide (CID 99123163) is 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide is COc1ccccc1CC(C)(C)C(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is IRXFFILXHKYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(2,11-13-7-4-5-9-15(13)23-3)16(20)19-24(21,22)14-8-6-10-18-12-14/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide?
3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 348.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,2-dimethyl-N-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 99123163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).