N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide

C25H24FN3O5S — CID 121155892

IUPACN-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C25H24FN3O5S/c1-16-12-20(13-24(30)29(16)19-10-11-19)34-21-14-28(15-21)25(31)17-6-8-18(9-7-17)27-35(32,33)23-5-3-2-4-22(23)26/h2-9,12-13,19,21,27H,10-11,14-15H2,1H3
InChIKeyKRMKQPYOBTUGJH-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.33
Rot. Bonds7

About N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide

N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide (PubChem CID 121155892) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
PubChem CID121155892
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC NameN-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C25H24FN3O5S/c1-16-12-20(13-24(30)29(16)19-10-11-19)34-21-14-28(15-21)25(31)17-6-8-18(9-7-17)27-35(32,33)23-5-3-2-4-22(23)26/h2-9,12-13,19,21,27H,10-11,14-15H2,1H3
InChIKeyKRMKQPYOBTUGJH-UHFFFAOYSA-N
XLogP3.33
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 90629013
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
2-fluoro-N-[4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzenesulfonamide
CID 122255293
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121156068
1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155831
2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
CID 91814936
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide (CID 121155892) is N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide is Cc1cc(OC2CN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)C2)cc(=O)n1C1CC1.
What is the InChIKey of N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is KRMKQPYOBTUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-16-12-20(13-24(30)29(16)19-10-11-19)34-21-14-28(15-21)25(31)17-6-8-18(9-7-17)27-35(32,33)23-5-3-2-4-22(23)26/h2-9,12-13,19,21,27H,10-11,14-15H2,1H3.
What are the key properties of N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide?
N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 497.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 121155892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).