2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide

C20H21N3O5S2 — CID 2408166

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-3-27-16-8-10-18(11-9-16)30(25,26)23(2)15-4-6-17(7-5-15)28-14-19(24)22-20-21-12-13-29-20/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeySXCHJDRPGJOJJZ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.38
Rot. Bonds9

About 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2408166) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2408166
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-3-27-16-8-10-18(11-9-16)30(25,26)23(2)15-4-6-17(7-5-15)28-14-19(24)22-20-21-12-13-29-20/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeySXCHJDRPGJOJJZ-UHFFFAOYSA-N
XLogP3.38
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1996815
Acetamide, 2-(4-chlorophenoxy)-N-(4-((2-thiazolylamino)sulfonyl)phenyl)-
CID 151534
2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155336
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
2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2915094
2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2983262
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-propionamide
CID 3161313
2-(2,5-Dimethyl-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 3163326
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-p-tolyloxy-butyramide
CID 3163983
1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6494509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide (CID 2408166) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SXCHJDRPGJOJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-3-27-16-8-10-18(11-9-16)30(25,26)23(2)15-4-6-17(7-5-15)28-14-19(24)22-20-21-12-13-29-20/h4-13H,3,14H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2408166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).