N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide

C16H8F6N2OS3 — CID 166442964

IUPACN-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1c(SC(F)(F)F)csc1SC(F)(F)F
InChIInChI=1S/C16H8F6N2OS3/c17-15(18,19)27-10-7-26-14(28-16(20,21)22)11(10)13(25)24-9-5-1-3-8-4-2-6-23-12(8)9/h1-7H,(H,24,25)
InChIKeyZTZQNNBFECGBCU-UHFFFAOYSA-N
MW454.44 g/mol
LogP6.77
Rot. Bonds4

About N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide

N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide (PubChem CID 166442964) has the molecular formula C16H8F6N2OS3 and a molecular weight of 454.44 g/mol. Its IUPAC name is N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide
PubChem CID166442964
Molecular FormulaC16H8F6N2OS3
Molecular Weight454.44 g/mol
Exact Mass453.97
IUPAC NameN-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1c(SC(F)(F)F)csc1SC(F)(F)F
InChIInChI=1S/C16H8F6N2OS3/c17-15(18,19)27-10-7-26-14(28-16(20,21)22)11(10)13(25)24-9-5-1-3-8-4-2-6-23-12(8)9/h1-7H,(H,24,25)
InChIKeyZTZQNNBFECGBCU-UHFFFAOYSA-N
XLogP6.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide?
The IUPAC name of N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide (CID 166442964) is N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide.
What is the SMILES notation for N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide?
The canonical SMILES for N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide is O=C(Nc1cccc2cccnc12)c1c(SC(F)(F)F)csc1SC(F)(F)F.
What is the InChIKey of N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide?
The InChIKey is ZTZQNNBFECGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2OS3/c17-15(18,19)27-10-7-26-14(28-16(20,21)22)11(10)13(25)24-9-5-1-3-8-4-2-6-23-12(8)9/h1-7H,(H,24,25).
What are the key properties of N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide?
N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-2,4-bis(trifluoromethylsulfanyl)thiophene-3-carboxamide is sourced from PubChem (CID 166442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).