2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide

C18H22N2O3S — CID 155543740

IUPAC2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-18(2,24(22,23)16-12-6-7-13-19-16)17(21)20-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,21)
InChIKeyDUUYYFNROJZQBM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.38
Rot. Bonds7

About 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide

2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide (PubChem CID 155543740) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide
PubChem CID155543740
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-18(2,24(22,23)16-12-6-7-13-19-16)17(21)20-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,21)
InChIKeyDUUYYFNROJZQBM-UHFFFAOYSA-N
XLogP2.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide (CID 155543740) is 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide is CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide?
The InChIKey is DUUYYFNROJZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,24(22,23)16-12-6-7-13-19-16)17(21)20-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide?
2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide is sourced from PubChem (CID 155543740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).