N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide

C23H26N2O2S — CID 70454995

IUPACN-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide
SMILESCC1CN(CCc2cccs2)CCC1NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-17-16-25(12-9-19-8-5-15-28-19)13-10-21(17)24-23(26)22-20(11-14-27-22)18-6-3-2-4-7-18/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,24,26)
InChIKeyJAQYHOSHTULRSZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.69
Rot. Bonds6

About N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide

N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide (PubChem CID 70454995) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide
PubChem CID70454995
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide
SMILESCC1CN(CCc2cccs2)CCC1NC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-17-16-25(12-9-19-8-5-15-28-19)13-10-21(17)24-23(26)22-20(11-14-27-22)18-6-3-2-4-7-18/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,24,26)
InChIKeyJAQYHOSHTULRSZ-UHFFFAOYSA-N
XLogP4.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furan-2-carboxylic acid [3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenyl-amide
CID 13653720
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2168157
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
CID 2146644
Thiophene-2-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-(2-methoxy-phenyl)-methyl ester
CID 646791
Furan-2-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-p-tolyl-methyl ester
CID 652533
Furan-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-thiophen-2-ylmethyl-amide
CID 654363
N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 1245893

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide (CID 70454995) is N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide is CC1CN(CCc2cccs2)CCC1NC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is JAQYHOSHTULRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-17-16-25(12-9-19-8-5-15-28-19)13-10-21(17)24-23(26)22-20(11-14-27-22)18-6-3-2-4-7-18/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,24,26).
What are the key properties of N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide?
N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 70454995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).