N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C18H18N2O2S — CID 78843575

IUPACN-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)sc1C
InChIInChI=1S/C18H18N2O2S/c1-13-9-17(23-14(13)2)18(21)20(12-16-6-4-8-22-16)11-15-5-3-7-19-10-15/h3-10H,11-12H2,1-2H3
InChIKeyAHFLYCAMGITERH-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.20
Rot. Bonds5

About N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 78843575) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID78843575
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)sc1C
InChIInChI=1S/C18H18N2O2S/c1-13-9-17(23-14(13)2)18(21)20(12-16-6-4-8-22-16)11-15-5-3-7-19-10-15/h3-10H,11-12H2,1-2H3
InChIKeyAHFLYCAMGITERH-UHFFFAOYSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)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-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 4174927
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 87045069
4-(1,3-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 78843585
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 112820398
(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120640268
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795642
4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 112812157

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 78843575) is N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)sc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is AHFLYCAMGITERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-9-17(23-14(13)2)18(21)20(12-16-6-4-8-22-16)11-15-5-3-7-19-10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 78843575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).