N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C23H26N2O2S — CID 93478860

IUPACN-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-16-8-10-18(11-9-16)21(25-12-4-3-5-13-25)19-15-17(2)28-23(19)24-22(26)20-7-6-14-27-20/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeySTRZOMZQIADQKN-OAQYLSRUSA-N
MW394.54 g/mol
LogP5.79
Rot. Bonds5

About N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93478860) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID93478860
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-16-8-10-18(11-9-16)21(25-12-4-3-5-13-25)19-15-17(2)28-23(19)24-22(26)20-7-6-14-27-20/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeySTRZOMZQIADQKN-OAQYLSRUSA-N
XLogP5.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740008
N-[3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740002
N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478843
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478837
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194
N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740194
N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479399
N-[3-[(S)-[4-(difluoromethoxy)phenyl]-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479088
N-[3-[(S)-1,3-benzodioxol-5-yl(piperidin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478916
N-[5-methyl-3-[(R)-(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479213

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 93478860) is N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is STRZOMZQIADQKN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-16-8-10-18(11-9-16)21(25-12-4-3-5-13-25)19-15-17(2)28-23(19)24-22(26)20-7-6-14-27-20/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93478860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).