N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide

C24H27N3O3S2 — CID 138673723

IUPACN-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)(C)c1ccc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)cc2)cc1
InChIInChI=1S/C24H27N3O3S2/c1-24(2,3)18-8-4-16(5-9-18)17-6-10-19(11-7-17)25-22(28)14-20-15-31-23(26-20)27-32(29,30)21-12-13-21/h4-11,15,21H,12-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPHVHOJXUEAMLRR-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.19
Rot. Bonds7

About N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide

N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 138673723) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID138673723
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)(C)c1ccc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)cc2)cc1
InChIInChI=1S/C24H27N3O3S2/c1-24(2,3)18-8-4-16(5-9-18)17-6-10-19(11-7-17)25-22(28)14-20-15-31-23(26-20)27-32(29,30)21-12-13-21/h4-11,15,21H,12-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPHVHOJXUEAMLRR-UHFFFAOYSA-N
XLogP5.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
CID 171343778
N-(4-tert-butylphenyl)-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386263
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
CID 138701338
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(cyclopropen-1-ylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(2-methyl-3-pyridinyl)phenyl]acetamide
CID 155379103
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide (CID 138673723) is N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide is CC(C)(C)c1ccc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PHVHOJXUEAMLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-24(2,3)18-8-4-16(5-9-18)17-6-10-19(11-7-17)25-22(28)14-20-15-31-23(26-20)27-32(29,30)21-12-13-21/h4-11,15,21H,12-14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide?
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 469.63 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 138673723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).