N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide

C26H30N2O4S — CID 55792388

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H30N2O4S/c1-19(12-13-21-11-8-16-31-21)27-26(30)25-22(17-23(33-25)20-9-4-2-5-10-20)32-18-24(29)28-14-6-3-7-15-28/h2,4-5,8-11,16-17,19H,3,6-7,12-15,18H2,1H3,(H,27,30)
InChIKeyKCSWZHLJSHHZGO-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.15
Rot. Bonds9

About N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide (PubChem CID 55792388) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
PubChem CID55792388
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H30N2O4S/c1-19(12-13-21-11-8-16-31-21)27-26(30)25-22(17-23(33-25)20-9-4-2-5-10-20)32-18-24(29)28-14-6-3-7-15-28/h2,4-5,8-11,16-17,19H,3,6-7,12-15,18H2,1H3,(H,27,30)
InChIKeyKCSWZHLJSHHZGO-UHFFFAOYSA-N
XLogP5.15
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide with MolForge

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Related Compounds

N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
CID 112835143
N-[1-(3-nitrophenyl)ethyl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
CID 55878258
N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119385018
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide (CID 55792388) is N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide is CC(CCc1ccco1)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide?
The InChIKey is KCSWZHLJSHHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19(12-13-21-11-8-16-31-21)27-26(30)25-22(17-23(33-25)20-9-4-2-5-10-20)32-18-24(29)28-14-6-3-7-15-28/h2,4-5,8-11,16-17,19H,3,6-7,12-15,18H2,1H3,(H,27,30).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55792388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).