2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C21H27N3O5S2 — CID 25163305

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C21H27N3O5S2/c1-14-10-15(2)21(16(3)11-14)23-19(26)13-22-18(25)12-17-4-5-20(30-17)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUFNGBOMRIDOJDR-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.99
Rot. Bonds7

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 25163305) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID25163305
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C21H27N3O5S2/c1-14-10-15(2)21(16(3)11-14)23-19(26)13-22-18(25)12-17-4-5-20(30-17)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUFNGBOMRIDOJDR-UHFFFAOYSA-N
XLogP1.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 25163305) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is UFNGBOMRIDOJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-14-10-15(2)21(16(3)11-14)23-19(26)13-22-18(25)12-17-4-5-20(30-17)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 25163305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).