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

C22H23ClN2O2S — CID 93478843

IUPACN-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23ClN2O2S/c1-15-13-18(22(28-15)24-21(26)19-9-6-12-27-19)20(25-10-3-2-4-11-25)16-7-5-8-17(23)14-16/h5-9,12-14,20H,2-4,10-11H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyVBRBCVVIMUMKCF-HXUWFJFHSA-N
MW414.96 g/mol
LogP6.13
Rot. Bonds5

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

N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93478843) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID93478843
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC NameN-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23ClN2O2S/c1-15-13-18(22(28-15)24-21(26)19-9-6-12-27-19)20(25-10-3-2-4-11-25)16-7-5-8-17(23)14-16/h5-9,12-14,20H,2-4,10-11H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyVBRBCVVIMUMKCF-HXUWFJFHSA-N
XLogP6.13
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478837
N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93478860
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
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-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[3-[(S)-(3-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478910
N-[3-[(3-chlorophenyl)-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740886
N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479399
N-[5-methyl-3-[(R)-(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479213
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 93478843) is N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is VBRBCVVIMUMKCF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-15-13-18(22(28-15)24-21(26)19-9-6-12-27-19)20(25-10-3-2-4-11-25)16-7-5-8-17(23)14-16/h5-9,12-14,20H,2-4,10-11H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 414.96 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93478843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).