2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

C24H21N3O4S2 — CID 18571965

IUPAC2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-7-13-22(14-8-17)33(29,30)27-24-26-19(16-32-24)15-23(28)25-18-9-11-21(12-10-18)31-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQTRSQPZKHZUKFG-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.23
Rot. Bonds8

About 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 18571965) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID18571965
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-7-13-22(14-8-17)33(29,30)27-24-26-19(16-32-24)15-23(28)25-18-9-11-21(12-10-18)31-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQTRSQPZKHZUKFG-UHFFFAOYSA-N
XLogP5.23
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 44922574
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (CID 18571965) is 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is QTRSQPZKHZUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-17-7-13-22(14-8-17)33(29,30)27-24-26-19(16-32-24)15-23(28)25-18-9-11-21(12-10-18)31-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 18571965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).