methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate

C16H15F3N2O4S — CID 55612610

IUPACmethyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)oc1C
InChIInChI=1S/C16H15F3N2O4S/c1-9-12(15(23)24-2)5-11(25-9)7-20-13(22)8-26-14-4-3-10(6-21-14)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22)
InChIKeyNSTCFQIRIYCPHW-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.20
Rot. Bonds6

About methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate (PubChem CID 55612610) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate
PubChem CID55612610
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Namemethyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)oc1C
InChIInChI=1S/C16H15F3N2O4S/c1-9-12(15(23)24-2)5-11(25-9)7-20-13(22)8-26-14-4-3-10(6-21-14)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22)
InChIKeyNSTCFQIRIYCPHW-UHFFFAOYSA-N
XLogP3.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-Oxopyrrolidin-1-yl)ethyl 2-[(1-{[(2-furylmethyl)amino]carbonyl}propyl)thio]nicotinate
CID 3243185
Ethyl 2-[(1-{[(furan-2-YL)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
CID 3430352
Propan-2-YL 2-[(1-{[(furan-2-YL)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
CID 5086039
N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide
CID 2821405
Methyl 2-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]furan-3-carboxylate
CID 2099001
5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 6734264
N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide
CID 20969244
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 51133093
2-[3,3-difluoro-3-(4-fluorophenyl)propyl]sulfanyl-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 67521479
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 67521836
2-[3,3-difluoro-3-(4-fluorophenyl)propyl]sulfanyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 67521921
2-[3-(4-fluorophenyl)propylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 67521985

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate (CID 55612610) is methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate?
The InChIKey is NSTCFQIRIYCPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-9-12(15(23)24-2)5-11(25-9)7-20-13(22)8-26-14-4-3-10(6-21-14)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate has a molecular weight of 388.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55612610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).