1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C21H28N2O4S — CID 35498413

IUPAC1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2c(C)cc(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C21H28N2O4S/c1-7-23(8-2)28(26,27)18-9-10-20(25)22(12-18)13-19-14(3)11-15(4)21(16(19)5)17(6)24/h9-12H,7-8,13H2,1-6H3
InChIKeyBRYWLGFXADSBBC-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.05
Rot. Bonds7

About 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 35498413) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID35498413
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2c(C)cc(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C21H28N2O4S/c1-7-23(8-2)28(26,27)18-9-10-20(25)22(12-18)13-19-14(3)11-15(4)21(16(19)5)17(6)24/h9-12H,7-8,13H2,1-6H3
InChIKeyBRYWLGFXADSBBC-UHFFFAOYSA-N
XLogP3.05
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867319
1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 46511196
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-dipropylacetamide
CID 55400476
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875222
N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16546169
1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 7599929
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 26719575
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 43008462
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 167876025
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892

Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 35498413) is 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2c(C)cc(C)c(C(C)=O)c2C)c1.
What is the InChIKey of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is BRYWLGFXADSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-7-23(8-2)28(26,27)18-9-10-20(25)22(12-18)13-19-14(3)11-15(4)21(16(19)5)17(6)24/h9-12H,7-8,13H2,1-6H3.
What are the key properties of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 35498413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).