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

C26H25N3O4S2 — CID 2477199

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1
InChIInChI=1S/C26H25N3O4S2/c1-18-4-8-20(9-5-18)24-17-34-26(27-24)28-25(30)16-33-22-12-10-21(11-13-22)29(3)35(31,32)23-14-6-19(2)7-15-23/h4-15,17H,16H2,1-3H3,(H,27,28,30)
InChIKeyXKPKANOJJGYPQZ-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.27
Rot. Bonds8

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

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2477199) has the molecular formula C26H25N3O4S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2477199
Molecular FormulaC26H25N3O4S2
Molecular Weight507.64 g/mol
Exact Mass507.13
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1
InChIInChI=1S/C26H25N3O4S2/c1-18-4-8-20(9-5-18)24-17-34-26(27-24)28-25(30)16-33-22-12-10-21(11-13-22)29(3)35(31,32)23-14-6-19(2)7-15-23/h4-15,17H,16H2,1-3H3,(H,27,28,30)
InChIKeyXKPKANOJJGYPQZ-UHFFFAOYSA-N
XLogP5.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
CID 2947587
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 1248559
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2336509
Ethyl 2-[2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2336554
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2348603
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2460030
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 4517155

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 2477199) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XKPKANOJJGYPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S2/c1-18-4-8-20(9-5-18)24-17-34-26(27-24)28-25(30)16-33-22-12-10-21(11-13-22)29(3)35(31,32)23-14-6-19(2)7-15-23/h4-15,17H,16H2,1-3H3,(H,27,28,30).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 507.64 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2477199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).