N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C67H73Cl2F2N11O14S5 — CID 173121487

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(F)c2)no1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H16ClN3O4S.C18H24FN3O3S.C17H21FN2O4S.C14H12ClN3O3S2/c1-18(2,27(24,25)14-10-8-13(19)9-11-14)16(23)21-17-20-15(22-26-17)12-6-4-3-5-7-12;1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-8-12(19)10-13;1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-8-6-7-11(18)9-12;1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-11H,1-2H3,(H,20,21,22,23);7-11H,1-6H3,(H,20,23);6-10H,1-5H3,(H,19,20,21);3-6,8H,1-2H3,(H,17,18,19)
InChIKeyBDBGBKCGIDDSEB-UHFFFAOYSA-N
MW1525.62 g/mol
LogP12.79
Rot. Bonds17

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 173121487) has the molecular formula C67H73Cl2F2N11O14S5 and a molecular weight of 1525.62 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID173121487
Molecular FormulaC67H73Cl2F2N11O14S5
Molecular Weight1525.62 g/mol
Exact Mass1523.33
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(F)c2)no1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H16ClN3O4S.C18H24FN3O3S.C17H21FN2O4S.C14H12ClN3O3S2/c1-18(2,27(24,25)14-10-8-13(19)9-11-14)16(23)21-17-20-15(22-26-17)12-6-4-3-5-7-12;1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-8-12(19)10-13;1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-8-6-7-11(18)9-12;1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-11H,1-2H3,(H,20,21,22,23);7-11H,1-6H3,(H,20,23);6-10H,1-5H3,(H,19,20,21);3-6,8H,1-2H3,(H,17,18,19)
InChIKeyBDBGBKCGIDDSEB-UHFFFAOYSA-N
XLogP12.79
TPSA372.41 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001525.62
LogP ≤ 512.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 173121487) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)(C(=O)Nc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(F)c2)no1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BDBGBKCGIDDSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S.C18H24FN3O3S.C17H21FN2O4S.C14H12ClN3O3S2/c1-18(2,27(24,25)14-10-8-13(19)9-11-14)16(23)21-17-20-15(22-26-17)12-6-4-3-5-7-12;1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-8-12(19)10-13;1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-8-6-7-11(18)9-12;1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-11H,1-2H3,(H,20,21,22,23);7-11H,1-6H3,(H,20,23);6-10H,1-5H3,(H,19,20,21);3-6,8H,1-2H3,(H,17,18,19).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 1525.62 g/mol, XLogP of 12.79, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 173121487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).