N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

C26H25ClN2O2S — CID 46270031

IUPACN-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCC1CCN(C(c2ccccc2Cl)c2oc3ccccc3c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C26H25ClN2O2S/c1-17-12-14-29(15-13-17)24(18-7-2-4-9-20(18)27)25-23(19-8-3-5-10-21(19)31-25)28-26(30)22-11-6-16-32-22/h2-11,16-17,24H,12-15H2,1H3,(H,28,30)
InChIKeyOYNAYCQHXPMWAY-UHFFFAOYSA-N
MW465.02 g/mol
LogP7.22
Rot. Bonds5

About N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 46270031) has the molecular formula C26H25ClN2O2S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID46270031
Molecular FormulaC26H25ClN2O2S
Molecular Weight465.02 g/mol
Exact Mass464.13
IUPAC NameN-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCC1CCN(C(c2ccccc2Cl)c2oc3ccccc3c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C26H25ClN2O2S/c1-17-12-14-29(15-13-17)24(18-7-2-4-9-20(18)27)25-23(19-8-3-5-10-21(19)31-25)28-26(30)22-11-6-16-32-22/h2-11,16-17,24H,12-15H2,1H3,(H,28,30)
InChIKeyOYNAYCQHXPMWAY-UHFFFAOYSA-N
XLogP7.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.02
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500992
N-[2-[(S)-(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500976
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(R)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500969
N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500970
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
4-methyl-N-[2-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 46270031) is N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is CC1CCN(C(c2ccccc2Cl)c2oc3ccccc3c2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is OYNAYCQHXPMWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2S/c1-17-12-14-29(15-13-17)24(18-7-2-4-9-20(18)27)25-23(19-8-3-5-10-21(19)31-25)28-26(30)22-11-6-16-32-22/h2-11,16-17,24H,12-15H2,1H3,(H,28,30).
What are the key properties of N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 465.02 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46270031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).