2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H24N3O3S+ — CID 8857827

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-16-9-13-21(14-10-16)15-19(23)20-17-5-7-18(8-6-17)26(24,25)22-11-3-4-12-22/h5-10,13-14H,2-4,11-12,15H2,1H3/p+1
InChIKeyIZJMGQAMUDKUPZ-UHFFFAOYSA-O
MW374.49 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8857827) has the molecular formula C19H24N3O3S+ and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID8857827
Molecular FormulaC19H24N3O3S+
Molecular Weight374.49 g/mol
Exact Mass374.15
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-16-9-13-21(14-10-16)15-19(23)20-17-5-7-18(8-6-17)26(24,25)22-11-3-4-12-22/h5-10,13-14H,2-4,11-12,15H2,1H3/p+1
InChIKeyIZJMGQAMUDKUPZ-UHFFFAOYSA-O
XLogP1.96
TPSA70.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 8857820
2-(4-ethylpyridin-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8857790
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8862919
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877671
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
2-isoquinolin-2-ium-2-yl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 8829276

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 8857827) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CCc1cc[n+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IZJMGQAMUDKUPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O3S/c1-2-16-9-13-21(14-10-16)15-19(23)20-17-5-7-18(8-6-17)26(24,25)22-11-3-4-12-22/h5-10,13-14H,2-4,11-12,15H2,1H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8857827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).