3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide

C17H20N2O3S — CID 91780050

IUPAC3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCCc1ccccn1
InChIInChI=1S/C17H20N2O3S/c20-17(19-13-6-8-15-7-4-5-12-18-15)11-14-23(21,22)16-9-2-1-3-10-16/h1-5,7,9-10,12H,6,8,11,13-14H2,(H,19,20)
InChIKeyBVSJHFJIIXXPML-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.99
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide

3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide (PubChem CID 91780050) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
PubChem CID91780050
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCCc1ccccn1
InChIInChI=1S/C17H20N2O3S/c20-17(19-13-6-8-15-7-4-5-12-18-15)11-14-23(21,22)16-9-2-1-3-10-16/h1-5,7,9-10,12H,6,8,11,13-14H2,(H,19,20)
InChIKeyBVSJHFJIIXXPML-UHFFFAOYSA-N
XLogP1.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide (CID 91780050) is 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCCc1ccccn1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide?
The InChIKey is BVSJHFJIIXXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(19-13-6-8-15-7-4-5-12-18-15)11-14-23(21,22)16-9-2-1-3-10-16/h1-5,7,9-10,12H,6,8,11,13-14H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide?
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide has a molecular weight of 332.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide is sourced from PubChem (CID 91780050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).