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

C24H28N2O3S — CID 70454946

IUPAC3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccccc1-c1ccoc1C(=O)NC1CCN(CCc2cccs2)CC1C
InChIInChI=1S/C24H28N2O3S/c1-17-16-26(12-9-18-6-5-15-30-18)13-10-21(17)25-24(27)23-20(11-14-29-23)19-7-3-4-8-22(19)28-2/h3-8,11,14-15,17,21H,9-10,12-13,16H2,1-2H3,(H,25,27)
InChIKeyLHBKCFVXAMNCJR-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.70
Rot. Bonds7

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

3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 70454946) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID70454946
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccccc1-c1ccoc1C(=O)NC1CCN(CCc2cccs2)CC1C
InChIInChI=1S/C24H28N2O3S/c1-17-16-26(12-9-18-6-5-15-30-18)13-10-21(17)25-24(27)23-20(11-14-29-23)19-7-3-4-8-22(19)28-2/h3-8,11,14-15,17,21H,9-10,12-13,16H2,1-2H3,(H,25,27)
InChIKeyLHBKCFVXAMNCJR-UHFFFAOYSA-N
XLogP4.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide
CID 70454995
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 67904302
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
1-[4-[(3S,4S)-4-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 100870928
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 114681156
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide (CID 70454946) is 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide is COc1ccccc1-c1ccoc1C(=O)NC1CCN(CCc2cccs2)CC1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is LHBKCFVXAMNCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17-16-26(12-9-18-6-5-15-30-18)13-10-21(17)25-24(27)23-20(11-14-29-23)19-7-3-4-8-22(19)28-2/h3-8,11,14-15,17,21H,9-10,12-13,16H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 70454946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).