N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide

C18H16FN3O5S — CID 31801001

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)no2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O5S/c1-11-9-17(27-21-11)18(23)20-13-5-8-16(26-2)15(10-13)22-28(24,25)14-6-3-12(19)4-7-14/h3-10,22H,1-2H3,(H,20,23)
InChIKeyXDJKPKZWMFJEHP-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.18
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 31801001) has the molecular formula C18H16FN3O5S and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID31801001
Molecular FormulaC18H16FN3O5S
Molecular Weight405.41 g/mol
Exact Mass405.08
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)no2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O5S/c1-11-9-17(27-21-11)18(23)20-13-5-8-16(26-2)15(10-13)22-28(24,25)14-6-3-12(19)4-7-14/h3-10,22H,1-2H3,(H,20,23)
InChIKeyXDJKPKZWMFJEHP-UHFFFAOYSA-N
XLogP3.18
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18128241
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
3-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2-oxazole-5-carboxamide
CID 51254507
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
2,2-dichloro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004633
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17422707

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 31801001) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)c2cc(C)no2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XDJKPKZWMFJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S/c1-11-9-17(27-21-11)18(23)20-13-5-8-16(26-2)15(10-13)22-28(24,25)14-6-3-12(19)4-7-14/h3-10,22H,1-2H3,(H,20,23).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 31801001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).