N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C20H26N2O2S — CID 25161590

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C20H26N2O2S/c23-20(19-13-15-7-2-3-9-18(15)25-19)21-14-16(17-8-6-12-24-17)22-10-4-1-5-11-22/h6,8,12-13,16H,1-5,7,9-11,14H2,(H,21,23)
InChIKeyWGFFDNZSCWZPPE-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 25161590) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID25161590
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C20H26N2O2S/c23-20(19-13-15-7-2-3-9-18(15)25-19)21-14-16(17-8-6-12-24-17)22-10-4-1-5-11-22/h6,8,12-13,16H,1-5,7,9-11,14H2,(H,21,23)
InChIKeyWGFFDNZSCWZPPE-UHFFFAOYSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 4808914
N-[2-(furan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24542540
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
CID 86861584
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 25161590) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is WGFFDNZSCWZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-20(19-13-15-7-2-3-9-18(15)25-19)21-14-16(17-8-6-12-24-17)22-10-4-1-5-11-22/h6,8,12-13,16H,1-5,7,9-11,14H2,(H,21,23).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25161590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).