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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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).