N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide

C23H26N2O3S — CID 93478837

IUPACN-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C23H26N2O3S/c1-16-14-19(23(29-16)24-22(26)20-10-7-13-28-20)21(25-11-4-3-5-12-25)17-8-6-9-18(15-17)27-2/h6-10,13-15,21H,3-5,11-12H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyQDPLWFNMYPXRSZ-OAQYLSRUSA-N
MW410.54 g/mol
LogP5.49
Rot. Bonds6

About N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide

N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93478837) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID93478837
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C23H26N2O3S/c1-16-14-19(23(29-16)24-22(26)20-10-7-13-28-20)21(25-11-4-3-5-12-25)17-8-6-9-18(15-17)27-2/h6-10,13-15,21H,3-5,11-12H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyQDPLWFNMYPXRSZ-OAQYLSRUSA-N
XLogP5.49
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93478860
N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740008
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
N-[3-[(R)-(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479454
N-[3-[(S)-(3-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478910
N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[5-methyl-3-[(R)-(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479213
N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740194

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 93478837) is N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide is COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)c1.
What is the InChIKey of N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is QDPLWFNMYPXRSZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-14-19(23(29-16)24-22(26)20-10-7-13-28-20)21(25-11-4-3-5-12-25)17-8-6-9-18(15-17)27-2/h6-10,13-15,21H,3-5,11-12H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93478837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).