4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide

C16H20N2O4S — CID 110730435

IUPAC4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccn(C)c2=O)cc1C
InChIInChI=1S/C16H20N2O4S/c1-11-9-15(12(2)8-14(11)22-4)23(20,21)17-10-13-6-5-7-18(3)16(13)19/h5-9,17H,10H2,1-4H3
InChIKeyYCZZUTSYTYRZAQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.49
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 110730435) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID110730435
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccn(C)c2=O)cc1C
InChIInChI=1S/C16H20N2O4S/c1-11-9-15(12(2)8-14(11)22-4)23(20,21)17-10-13-6-5-7-18(3)16(13)19/h5-9,17H,10H2,1-4H3
InChIKeyYCZZUTSYTYRZAQ-UHFFFAOYSA-N
XLogP1.49
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730424
4-methoxy-2,6-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730456
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
2-methoxy-4,5-dimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642099
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110731092
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-methoxy-2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516337
4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 94638093

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide (CID 110730435) is 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2cccn(C)c2=O)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YCZZUTSYTYRZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-9-15(12(2)8-14(11)22-4)23(20,21)17-10-13-6-5-7-18(3)16(13)19/h5-9,17H,10H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110730435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).