2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C23H27F3N4O5S — CID 3391553

IUPAC2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N4O5S/c24-23(25,26)17-2-1-3-18(14-17)28-22(31)16-27-20-15-19(36(32,33)30-8-12-35-13-9-30)4-5-21(20)29-6-10-34-11-7-29/h1-5,14-15,27H,6-13,16H2,(H,28,31)
InChIKeyMISFJNASPHFMDH-UHFFFAOYSA-N
MW528.55 g/mol
LogP2.61
Rot. Bonds7

About 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3391553) has the molecular formula C23H27F3N4O5S and a molecular weight of 528.55 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3391553
Molecular FormulaC23H27F3N4O5S
Molecular Weight528.55 g/mol
Exact Mass528.17
IUPAC Name2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N4O5S/c24-23(25,26)17-2-1-3-18(14-17)28-22(31)16-27-20-15-19(36(32,33)30-8-12-35-13-9-30)4-5-21(20)29-6-10-34-11-7-29/h1-5,14-15,27H,6-13,16H2,(H,28,31)
InChIKeyMISFJNASPHFMDH-UHFFFAOYSA-N
XLogP2.61
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.55
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3391553) is 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MISFJNASPHFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O5S/c24-23(25,26)17-2-1-3-18(14-17)28-22(31)16-27-20-15-19(36(32,33)30-8-12-35-13-9-30)4-5-21(20)29-6-10-34-11-7-29/h1-5,14-15,27H,6-13,16H2,(H,28,31).
What are the key properties of 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 528.55 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3391553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).