N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide

C17H16F3N3O2S2 — CID 3451580

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)NCCSCc2ccco2)s1
InChIInChI=1S/C17H16F3N3O2S2/c1-23-12(9-15(22-23)17(18,19)20)13-4-5-14(27-13)16(24)21-6-8-26-10-11-3-2-7-25-11/h2-5,7,9H,6,8,10H2,1H3,(H,21,24)
InChIKeyZNYQULZDYSXYAH-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.42
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 3451580) has the molecular formula C17H16F3N3O2S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID3451580
Molecular FormulaC17H16F3N3O2S2
Molecular Weight415.46 g/mol
Exact Mass415.06
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)NCCSCc2ccco2)s1
InChIInChI=1S/C17H16F3N3O2S2/c1-23-12(9-15(22-23)17(18,19)20)13-4-5-14(27-13)16(24)21-6-8-26-10-11-3-2-7-25-11/h2-5,7,9H,6,8,10H2,1H3,(H,21,24)
InChIKeyZNYQULZDYSXYAH-UHFFFAOYSA-N
XLogP4.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide 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

N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062151
N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062171
3-(4-fluorophenyl)-N-{[5-(furan-2-carbonyl)thiophen-2-yl]methyl}-1-methyl-1H-pyrazole-5-carboxamide
CID 72717522
N-(2-Furanylmethyl)-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thiophenesulfonamide
CID 2820355
2-(Furan-2-carbonyl)-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile
CID 2821027
(E)-2-(furan-2-carbonyl)-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile
CID 5715769
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 71796650
2-((4-fluorophenyl)thio)-N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)acetamide
CID 71797315
3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 71804198
N-(furan-2-ylmethyl)-2-(3-(morpholine-4-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865626
N-(furan-2-ylmethyl)-2-(3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865720
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45503141

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide (CID 3451580) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)NCCSCc2ccco2)s1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is ZNYQULZDYSXYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S2/c1-23-12(9-15(22-23)17(18,19)20)13-4-5-14(27-13)16(24)21-6-8-26-10-11-3-2-7-25-11/h2-5,7,9H,6,8,10H2,1H3,(H,21,24).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3451580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).