4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

C31H28N2O3S — CID 155563587

IUPAC4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(-c2ccc(-c3ccoc3)cc2)c(-c2ccc(-c3ccoc3)cc2)s1
InChIInChI=1S/C31H28N2O3S/c34-31(33-18-21-9-13-32-14-10-21)29-17-28(24-5-1-22(2-6-24)26-11-15-35-19-26)30(37-29)25-7-3-23(4-8-25)27-12-16-36-20-27/h1-8,11-12,15-17,19-21,32H,9-10,13-14,18H2,(H,33,34)
InChIKeyGOZSENVKDRJTND-UHFFFAOYSA-N
MW508.64 g/mol
LogP7.33
Rot. Bonds7

About 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 155563587) has the molecular formula C31H28N2O3S and a molecular weight of 508.64 g/mol. Its IUPAC name is 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID155563587
Molecular FormulaC31H28N2O3S
Molecular Weight508.64 g/mol
Exact Mass508.18
IUPAC Name4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(-c2ccc(-c3ccoc3)cc2)c(-c2ccc(-c3ccoc3)cc2)s1
InChIInChI=1S/C31H28N2O3S/c34-31(33-18-21-9-13-32-14-10-21)29-17-28(24-5-1-22(2-6-24)26-11-15-35-19-26)30(37-29)25-7-3-23(4-8-25)27-12-16-36-20-27/h1-8,11-12,15-17,19-21,32H,9-10,13-14,18H2,(H,33,34)
InChIKeyGOZSENVKDRJTND-UHFFFAOYSA-N
XLogP7.33
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
CID 164625682
5-(4-tert-butylphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 164889338
N-(piperidin-4-ylmethyl)-6-[4-(pyrrolidine-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 164889315
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823
4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 122560531
2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46891027
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (CID 155563587) is 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCNCC1)c1cc(-c2ccc(-c3ccoc3)cc2)c(-c2ccc(-c3ccoc3)cc2)s1.
What is the InChIKey of 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is GOZSENVKDRJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O3S/c34-31(33-18-21-9-13-32-14-10-21)29-17-28(24-5-1-22(2-6-24)26-11-15-35-19-26)30(37-29)25-7-3-23(4-8-25)27-12-16-36-20-27/h1-8,11-12,15-17,19-21,32H,9-10,13-14,18H2,(H,33,34).
What are the key properties of 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 7.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 155563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).