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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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).