1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C18H24FN3O4S — CID 9317403

IUPAC1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(Cc1ccc(OC)c(F)c1)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C18H24FN3O4S/c1-5-21(11-14-6-8-17(26-4)16(19)10-14)13-22-12-15(7-9-18(22)23)27(24,25)20(2)3/h6-10,12H,5,11,13H2,1-4H3
InChIKeyYXVYYYKHULRBOY-UHFFFAOYSA-N
MW397.47 g/mol
LogP1.73
Rot. Bonds8

About 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 9317403) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID9317403
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(Cc1ccc(OC)c(F)c1)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C18H24FN3O4S/c1-5-21(11-14-6-8-17(26-4)16(19)10-14)13-22-12-15(7-9-18(22)23)27(24,25)20(2)3/h6-10,12H,5,11,13H2,1-4H3
InChIKeyYXVYYYKHULRBOY-UHFFFAOYSA-N
XLogP1.73
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9235600
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9281789
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
4-(diethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 16574101
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 9317403) is 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CCN(Cc1ccc(OC)c(F)c1)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is YXVYYYKHULRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-5-21(11-14-6-8-17(26-4)16(19)10-14)13-22-12-15(7-9-18(22)23)27(24,25)20(2)3/h6-10,12H,5,11,13H2,1-4H3.
What are the key properties of 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 397.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9317403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).