2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

C17H21N3O4S — CID 3147845

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-24-16-9-7-15(8-10-16)20(25(3,22)23)13(2)17(21)19-14-6-5-11-18-12-14/h5-13H,4H2,1-3H3,(H,19,21)
InChIKeyBJDIILQRJDXVGH-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.27
Rot. Bonds7

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (PubChem CID 3147845) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
PubChem CID3147845
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-24-16-9-7-15(8-10-16)20(25(3,22)23)13(2)17(21)19-14-6-5-11-18-12-14/h5-13H,4H2,1-3H3,(H,19,21)
InChIKeyBJDIILQRJDXVGH-UHFFFAOYSA-N
XLogP2.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (CID 3147845) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is CCOc1ccc(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The InChIKey is BJDIILQRJDXVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-4-24-16-9-7-15(8-10-16)20(25(3,22)23)13(2)17(21)19-14-6-5-11-18-12-14/h5-13H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 3147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).