N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

C17H21ClN2O3S2 — CID 59662703

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN2O3S2/c1-16(2,3)13-10-24-15(19-13)20-14(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h6-10H,1-5H3,(H,19,20,21)
InChIKeyXVWLBSDRGOHFRG-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.28
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 59662703) has the molecular formula C17H21ClN2O3S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID59662703
Molecular FormulaC17H21ClN2O3S2
Molecular Weight400.95 g/mol
Exact Mass400.07
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN2O3S2/c1-16(2,3)13-10-24-15(19-13)20-14(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h6-10H,1-5H3,(H,19,20,21)
InChIKeyXVWLBSDRGOHFRG-UHFFFAOYSA-N
XLogP4.28
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide
CID 159459316
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 58198711
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
CID 87553974
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
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
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 58198475
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 161100841
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 62237022

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (CID 59662703) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is XVWLBSDRGOHFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S2/c1-16(2,3)13-10-24-15(19-13)20-14(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h6-10H,1-5H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 400.95 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 59662703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).