N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

C24H22ClN3O2S — CID 93480047

About N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93480047) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93480047
• Molecular Formula: C24H22ClN3O2S
• Molecular Weight: 451.98 g/mol
• Exact Mass: 451.11
• IUPAC Name: N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1ccnc(N[C@@H](c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc(C)c2C)c1
• InChI: InChI=1S/C24H22ClN3O2S/c1-14-10-11-26-20(13-14)27-22(17-7-4-5-8-18(17)25)21-15(2)16(3)31-24(21)28-23(29)19-9-6-12-30-19/h4-13,22H,1-3H3,(H,26,27)(H,28,29)/t22-/m0/s1
• InChIKey: FZNREIQDBXABNW-QFIPXVFZSA-N
• XLogP: 6.77
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.98
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (CID 93480047) is N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is Cc1ccnc(N[C@@H](c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc(C)c2C)c1.

What is the InChIKey of N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is FZNREIQDBXABNW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-14-10-11-26-20(13-14)27-22(17-7-4-5-8-18(17)25)21-15(2)16(3)31-24(21)28-23(29)19-9-6-12-30-19/h4-13,22H,1-3H3,(H,26,27)(H,28,29)/t22-/m0/s1.

What are the key properties of N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?

N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 6.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).