N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

C73H94ClF3N8O16S6 — CID 173117774

IUPACN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C)c(C(C)(C)C)s2)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(C)(C)C
InChIInChI=1S/C19H23F3N2O3S2.C19H26N2O4S2.C18H24N2O5S.C17H21ClN2O4S/c1-11-14(17(2,3)4)28-16(23-11)24-15(25)18(5,6)29(26,27)13-9-7-8-12(10-13)19(20,21)22;1-12-15(18(2,3)4)26-17(20-12)21-16(22)19(5,6)27(23,24)14-10-8-13(25-7)9-11-14;1-17(2,3)14-11-15(20-25-14)19-16(21)18(4,5)26(22,23)13-9-7-12(24-6)8-10-13;1-16(2,3)13-10-14(24-20-13)19-15(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h7-10H,1-6H3,(H,23,24,25);8-11H,1-7H3,(H,20,21,22);7-11H,1-6H3,(H,19,20,21);6-10H,1-5H3,(H,19,21)
InChIKeyJFHBBQMSFOPKRD-UHFFFAOYSA-N
MW1624.44 g/mol
LogP15.90
Rot. Bonds18

About N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 173117774) has the molecular formula C73H94ClF3N8O16S6 and a molecular weight of 1624.44 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID173117774
Molecular FormulaC73H94ClF3N8O16S6
Molecular Weight1624.44 g/mol
Exact Mass1622.48
IUPAC NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C)c(C(C)(C)C)s2)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(C)(C)C
InChIInChI=1S/C19H23F3N2O3S2.C19H26N2O4S2.C18H24N2O5S.C17H21ClN2O4S/c1-11-14(17(2,3)4)28-16(23-11)24-15(25)18(5,6)29(26,27)13-9-7-8-12(10-13)19(20,21)22;1-12-15(18(2,3)4)26-17(20-12)21-16(22)19(5,6)27(23,24)14-10-8-13(25-7)9-11-14;1-17(2,3)14-11-15(20-25-14)19-16(21)18(4,5)26(22,23)13-9-7-12(24-6)8-10-13;1-16(2,3)13-10-14(24-20-13)19-15(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h7-10H,1-6H3,(H,23,24,25);8-11H,1-7H3,(H,20,21,22);7-11H,1-6H3,(H,19,20,21);6-10H,1-5H3,(H,19,21)
InChIKeyJFHBBQMSFOPKRD-UHFFFAOYSA-N
XLogP15.90
TPSA349.26 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.44
LogP ≤ 515.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (CID 173117774) is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C)c(C(C)(C)C)s2)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is JFHBBQMSFOPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3S2.C19H26N2O4S2.C18H24N2O5S.C17H21ClN2O4S/c1-11-14(17(2,3)4)28-16(23-11)24-15(25)18(5,6)29(26,27)13-9-7-8-12(10-13)19(20,21)22;1-12-15(18(2,3)4)26-17(20-12)21-16(22)19(5,6)27(23,24)14-10-8-13(25-7)9-11-14;1-17(2,3)14-11-15(20-25-14)19-16(21)18(4,5)26(22,23)13-9-7-12(24-6)8-10-13;1-16(2,3)13-10-14(24-20-13)19-15(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h7-10H,1-6H3,(H,23,24,25);8-11H,1-7H3,(H,20,21,22);7-11H,1-6H3,(H,19,20,21);6-10H,1-5H3,(H,19,21).
What are the key properties of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 1624.44 g/mol, XLogP of 15.90, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 173117774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).