3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide

C17H20N4O4S — CID 24685891

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-7-9-18-16(11-12)21-17(23)8-10-19-26(24,25)15-5-3-14(4-6-15)20-13(2)22/h3-7,9,11,19H,8,10H2,1-2H3,(H,20,22)(H,18,21,23)
InChIKeyJINAFXOHLGAVKE-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.66
Rot. Bonds7

About 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 24685891) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID24685891
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-7-9-18-16(11-12)21-17(23)8-10-19-26(24,25)15-5-3-14(4-6-15)20-13(2)22/h3-7,9,11,19H,8,10H2,1-2H3,(H,20,22)(H,18,21,23)
InChIKeyJINAFXOHLGAVKE-UHFFFAOYSA-N
XLogP1.66
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide (CID 24685891) is 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is JINAFXOHLGAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12-7-9-18-16(11-12)21-17(23)8-10-19-26(24,25)15-5-3-14(4-6-15)20-13(2)22/h3-7,9,11,19H,8,10H2,1-2H3,(H,20,22)(H,18,21,23).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 376.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 24685891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).