N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H16F6N2O4S2 — CID 25161817

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)25-15(27)10-14-1-2-16(31-14)32(28,29)26-3-5-30-6-4-26/h1-2,7-9H,3-6,10H2,(H,25,27)
InChIKeyBFHDEUCGTNYUHX-UHFFFAOYSA-N
MW502.46 g/mol
LogP3.99
Rot. Bonds5

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25161817) has the molecular formula C18H16F6N2O4S2 and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25161817
Molecular FormulaC18H16F6N2O4S2
Molecular Weight502.46 g/mol
Exact Mass502.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)25-15(27)10-14-1-2-16(31-14)32(28,29)26-3-5-30-6-4-26/h1-2,7-9H,3-6,10H2,(H,25,27)
InChIKeyBFHDEUCGTNYUHX-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25161817) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is BFHDEUCGTNYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O4S2/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)25-15(27)10-14-1-2-16(31-14)32(28,29)26-3-5-30-6-4-26/h1-2,7-9H,3-6,10H2,(H,25,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 502.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25161817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).