N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane

C34H38F4N4O4S — CID 144796321

IUPACN-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane
SMILESCC.COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NSC(C)(C)C)C(F)(F)F)cc2cccnc12
InChIInChI=1S/C32H32F4N4O4S.C2H6/c1-29(2,3)45-40-30(4)17-44-27-22(30)15-24(39-26(27)18-8-10-21(33)11-9-18)31(42,32(34,35)36)16-38-28(41)20-13-19-7-6-12-37-25(19)23(14-20)43-5;1-2/h6-15,40,42H,16-17H2,1-5H3,(H,38,41);1-2H3
InChIKeyZEIJYKPUABNFTB-UHFFFAOYSA-N
MW674.76 g/mol
LogP7.29
Rot. Bonds8

About N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane

N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane (PubChem CID 144796321) has the molecular formula C34H38F4N4O4S and a molecular weight of 674.76 g/mol. Its IUPAC name is N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane
PubChem CID144796321
Molecular FormulaC34H38F4N4O4S
Molecular Weight674.76 g/mol
Exact Mass674.25
IUPAC NameN-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane
SMILESCC.COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NSC(C)(C)C)C(F)(F)F)cc2cccnc12
InChIInChI=1S/C32H32F4N4O4S.C2H6/c1-29(2,3)45-40-30(4)17-44-27-22(30)15-24(39-26(27)18-8-10-21(33)11-9-18)31(42,32(34,35)36)16-38-28(41)20-13-19-7-6-12-37-25(19)23(14-20)43-5;1-2/h6-15,40,42H,16-17H2,1-5H3,(H,38,41);1-2H3
InChIKeyZEIJYKPUABNFTB-UHFFFAOYSA-N
XLogP7.29
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.76
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane 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 N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane?
The IUPAC name of N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane (CID 144796321) is N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane.
What is the SMILES notation for N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane?
The canonical SMILES for N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane is CC.COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NSC(C)(C)C)C(F)(F)F)cc2cccnc12.
What is the InChIKey of N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane?
The InChIKey is ZEIJYKPUABNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F4N4O4S.C2H6/c1-29(2,3)45-40-30(4)17-44-27-22(30)15-24(39-26(27)18-8-10-21(33)11-9-18)31(42,32(34,35)36)16-38-28(41)20-13-19-7-6-12-37-25(19)23(14-20)43-5;1-2/h6-15,40,42H,16-17H2,1-5H3,(H,38,41);1-2H3.
What are the key properties of N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane?
N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane has a molecular weight of 674.76 g/mol, XLogP of 7.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(tert-butylsulfanylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide;ethane is sourced from PubChem (CID 144796321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).