3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C17H21N3O4S — CID 24687267

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-15-5-7-16(8-6-15)25(22,23)20-11-9-17(21)19-13-14-4-3-10-18-12-14/h3-8,10,12,20H,2,9,11,13H2,1H3,(H,19,21)
InChIKeyHMXCOYMKVNYPQA-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.47
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 24687267) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID24687267
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-24-15-5-7-16(8-6-15)25(22,23)20-11-9-17(21)19-13-14-4-3-10-18-12-14/h3-8,10,12,20H,2,9,11,13H2,1H3,(H,19,21)
InChIKeyHMXCOYMKVNYPQA-UHFFFAOYSA-N
XLogP1.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 24687267) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HMXCOYMKVNYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-24-15-5-7-16(8-6-15)25(22,23)20-11-9-17(21)19-13-14-4-3-10-18-12-14/h3-8,10,12,20H,2,9,11,13H2,1H3,(H,19,21).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 24687267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).