2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide

C16H19N3O3S — CID 4878270

IUPAC2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-13(19-23(21,22)15-8-3-2-4-9-15)16(20)18-12-10-14-7-5-6-11-17-14/h2-9,11,13,19H,10,12H2,1H3,(H,18,20)
InChIKeyQQQJCUICZZFISG-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.11
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide

2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 4878270) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID4878270
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-13(19-23(21,22)15-8-3-2-4-9-15)16(20)18-12-10-14-7-5-6-11-17-14/h2-9,11,13,19H,10,12H2,1H3,(H,18,20)
InChIKeyQQQJCUICZZFISG-UHFFFAOYSA-N
XLogP1.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide (CID 4878270) is 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is QQQJCUICZZFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13(19-23(21,22)15-8-3-2-4-9-15)16(20)18-12-10-14-7-5-6-11-17-14/h2-9,11,13,19H,10,12H2,1H3,(H,18,20).
What are the key properties of 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide?
2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 333.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 4878270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).