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

C25H23N3O4S2 — CID 2460030

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C25H23N3O4S2/c1-18-8-14-22(15-9-18)34(30,31)28(2)20-10-12-21(13-11-20)32-16-24(29)27-25-26-23(17-33-25)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27,29)
InChIKeyICONPGSAGKBLIV-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.96
Rot. Bonds8

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

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2460030) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2460030
Molecular FormulaC25H23N3O4S2
Molecular Weight493.61 g/mol
Exact Mass493.11
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C25H23N3O4S2/c1-18-8-14-22(15-9-18)34(30,31)28(2)20-10-12-21(13-11-20)32-16-24(29)27-25-26-23(17-33-25)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27,29)
InChIKeyICONPGSAGKBLIV-UHFFFAOYSA-N
XLogP4.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2460030) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ICONPGSAGKBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c1-18-8-14-22(15-9-18)34(30,31)28(2)20-10-12-21(13-11-20)32-16-24(29)27-25-26-23(17-33-25)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27,29).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 493.61 g/mol, XLogP of 4.96, 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-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2460030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).