N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide

C37H49ClN4O6S4 — CID 87602439

IUPACN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C(C)(C)C
InChIInChI=1S/C19H26N2O3S2.C18H23ClN2O3S2/c1-12-10-8-9-11-14(12)26(23,24)19(6,7)16(22)21-17-20-13(2)15(25-17)18(3,4)5;1-11-14(17(2,3)4)25-16(20-11)21-15(22)18(5,6)26(23,24)13-9-7-12(19)8-10-13/h8-11H,1-7H3,(H,20,21,22);7-10H,1-6H3,(H,20,21,22)
InChIKeySQRNVYUIXIEGNP-UHFFFAOYSA-N
MW809.54 g/mol
LogP8.84
Rot. Bonds8

About N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide (PubChem CID 87602439) has the molecular formula C37H49ClN4O6S4 and a molecular weight of 809.54 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
PubChem CID87602439
Molecular FormulaC37H49ClN4O6S4
Molecular Weight809.54 g/mol
Exact Mass808.22
IUPAC NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C(C)(C)C
InChIInChI=1S/C19H26N2O3S2.C18H23ClN2O3S2/c1-12-10-8-9-11-14(12)26(23,24)19(6,7)16(22)21-17-20-13(2)15(25-17)18(3,4)5;1-11-14(17(2,3)4)25-16(20-11)21-15(22)18(5,6)26(23,24)13-9-7-12(19)8-10-13/h8-11H,1-7H3,(H,20,21,22);7-10H,1-6H3,(H,20,21,22)
InChIKeySQRNVYUIXIEGNP-UHFFFAOYSA-N
XLogP8.84
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.54
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide 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-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide (CID 87602439) is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide is Cc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C)c(C(C)(C)C)s1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The InChIKey is SQRNVYUIXIEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2.C18H23ClN2O3S2/c1-12-10-8-9-11-14(12)26(23,24)19(6,7)16(22)21-17-20-13(2)15(25-17)18(3,4)5;1-11-14(17(2,3)4)25-16(20-11)21-15(22)18(5,6)26(23,24)13-9-7-12(19)8-10-13/h8-11H,1-7H3,(H,20,21,22);7-10H,1-6H3,(H,20,21,22).
What are the key properties of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide has a molecular weight of 809.54 g/mol, XLogP of 8.84, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 87602439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).