methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate

C18H20FN3O6S — CID 133167224

IUPACmethyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(NS(C)(=O)=O)c2ccc(F)cc2)cnc1OC
InChIInChI=1S/C18H20FN3O6S/c1-18(22-29(4,25)26,11-5-7-12(19)8-6-11)17(24)21-13-9-14(16(23)28-3)15(27-2)20-10-13/h5-10,22H,1-4H3,(H,21,24)
InChIKeyLGUGDRPOYYLEKR-UHFFFAOYSA-N
MW425.44 g/mol
LogP1.42
Rot. Bonds7

About methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate

methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate (PubChem CID 133167224) has the molecular formula C18H20FN3O6S and a molecular weight of 425.44 g/mol. Its IUPAC name is methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate
PubChem CID133167224
Molecular FormulaC18H20FN3O6S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Namemethyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(NS(C)(=O)=O)c2ccc(F)cc2)cnc1OC
InChIInChI=1S/C18H20FN3O6S/c1-18(22-29(4,25)26,11-5-7-12(19)8-6-11)17(24)21-13-9-14(16(23)28-3)15(27-2)20-10-13/h5-10,22H,1-4H3,(H,21,24)
InChIKeyLGUGDRPOYYLEKR-UHFFFAOYSA-N
XLogP1.42
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate
CID 100784746
methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
CID 100784803
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
5-[(5-fluoro-2-methoxybenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 154743816
amino 5-tert-butyl-2-methoxypyridine-3-carboxylate
CID 177260803
5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 167829005
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate
CID 11845854
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-(6-amino-3-pyridinyl)-2-(methanesulfonamido)-2-methylpropanamide
CID 119516146

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate (CID 133167224) is methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate is COC(=O)c1cc(NC(=O)C(C)(NS(C)(=O)=O)c2ccc(F)cc2)cnc1OC.
What is the InChIKey of methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate?
The InChIKey is LGUGDRPOYYLEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O6S/c1-18(22-29(4,25)26,11-5-7-12(19)8-6-11)17(24)21-13-9-14(16(23)28-3)15(27-2)20-10-13/h5-10,22H,1-4H3,(H,21,24).
What are the key properties of methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate?
methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate has a molecular weight of 425.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133167224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).