N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

C22H32N3O3S+ — CID 8878198

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-18(6-2)19-12-14-24(15-13-19)17-22(26)23-20-10-9-11-21(16-20)29(27,28)25(7-3)8-4/h9-16,18H,5-8,17H2,1-4H3/p+1
InChIKeyHNDNIPRZZSYHMH-UHFFFAOYSA-O
MW418.58 g/mol
LogP3.55
Rot. Bonds10

About N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (PubChem CID 8878198) has the molecular formula C22H32N3O3S+ and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
PubChem CID8878198
Molecular FormulaC22H32N3O3S+
Molecular Weight418.58 g/mol
Exact Mass418.22
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-18(6-2)19-12-14-24(15-13-19)17-22(26)23-20-10-9-11-21(16-20)29(27,28)25(7-3)8-4/h9-16,18H,5-8,17H2,1-4H3/p+1
InChIKeyHNDNIPRZZSYHMH-UHFFFAOYSA-O
XLogP3.55
TPSA70.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878164
N-(3-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide chloride
CID 43001070
N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878083
N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878109
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
CID 62856650
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751190
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
N-[3-(diethylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 16551934
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (CID 8878198) is N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is CCC(CC)c1cc[n+](CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The InChIKey is HNDNIPRZZSYHMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O3S/c1-5-18(6-2)19-12-14-24(15-13-19)17-22(26)23-20-10-9-11-21(16-20)29(27,28)25(7-3)8-4/h9-16,18H,5-8,17H2,1-4H3/p+1.
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide has a molecular weight of 418.58 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8878198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).