8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide

C23H21F3N2O3S2 — CID 66907432

IUPAC8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(F)(F)F)c2sc3ccccc3c2C)c2cccnc12
InChIInChI=1S/C23H21F3N2O3S2/c1-15-16-7-3-4-9-19(16)32-22(15)28(14-6-12-23(24,25)26)33(29,30)20-11-10-18(31-2)21-17(20)8-5-13-27-21/h3-5,7-11,13H,6,12,14H2,1-2H3
InChIKeyFVHMBLVSIIHDCN-UHFFFAOYSA-N
MW494.56 g/mol
LogP6.30
Rot. Bonds7

About 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide

8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide (PubChem CID 66907432) has the molecular formula C23H21F3N2O3S2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide
PubChem CID66907432
Molecular FormulaC23H21F3N2O3S2
Molecular Weight494.56 g/mol
Exact Mass494.09
IUPAC Name8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(F)(F)F)c2sc3ccccc3c2C)c2cccnc12
InChIInChI=1S/C23H21F3N2O3S2/c1-15-16-7-3-4-9-19(16)32-22(15)28(14-6-12-23(24,25)26)33(29,30)20-11-10-18(31-2)21-17(20)8-5-13-27-21/h3-5,7-11,13H,6,12,14H2,1-2H3
InChIKeyFVHMBLVSIIHDCN-UHFFFAOYSA-N
XLogP6.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide (CID 66907432) is 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide is COc1ccc(S(=O)(=O)N(CCCC(F)(F)F)c2sc3ccccc3c2C)c2cccnc12.
What is the InChIKey of 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide?
The InChIKey is FVHMBLVSIIHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S2/c1-15-16-7-3-4-9-19(16)32-22(15)28(14-6-12-23(24,25)26)33(29,30)20-11-10-18(31-2)21-17(20)8-5-13-27-21/h3-5,7-11,13H,6,12,14H2,1-2H3.
What are the key properties of 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide?
8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide has a molecular weight of 494.56 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide is sourced from PubChem (CID 66907432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).