N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C20H19ClFN3O4S — CID 168786225

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H19ClFN3O4S/c1-11(2)19-18(12(3)24-29-19)20(26)23-15-8-9-16(22)17(10-15)30(27,28)25-14-6-4-13(21)5-7-14/h4-11,25H,1-3H3,(H,23,26)
InChIKeyDSQCZADARQMZQI-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.95
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 168786225) has the molecular formula C20H19ClFN3O4S and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID168786225
Molecular FormulaC20H19ClFN3O4S
Molecular Weight451.91 g/mol
Exact Mass451.08
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H19ClFN3O4S/c1-11(2)19-18(12(3)24-29-19)20(26)23-15-8-9-16(22)17(10-15)30(27,28)25-14-6-4-13(21)5-7-14/h4-11,25H,1-3H3,(H,23,26)
InChIKeyDSQCZADARQMZQI-UHFFFAOYSA-N
XLogP4.95
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29202643
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9183588
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 102603899
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide
CID 166755163
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 168786207

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 168786225) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is DSQCZADARQMZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4S/c1-11(2)19-18(12(3)24-29-19)20(26)23-15-8-9-16(22)17(10-15)30(27,28)25-14-6-4-13(21)5-7-14/h4-11,25H,1-3H3,(H,23,26).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 168786225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).