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

C25H25N3O4S — CID 95060069

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

N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 95060069) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 95060069
• Molecular Formula: C25H25N3O4S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.16
• IUPAC Name: N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(OC)c([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)c1
• InChI: InChI=1S/C25H25N3O4S/c1-15-9-10-26-22(12-15)27-23(18-14-17(30-3)7-8-20(18)31-4)19-13-16(2)33-25(19)28-24(29)21-6-5-11-32-21/h5-14,23H,1-4H3,(H,26,27)(H,28,29)/t23-/m1/s1
• InChIKey: GKLLRRPXGAHZMO-HSZRJFAPSA-N
• XLogP: 5.82
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 95060069) is N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc(OC)c([C@@H](Nc2cc(C)ccn2)c2cc(C)sc2NC(=O)c2ccco2)c1.

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

The InChIKey is GKLLRRPXGAHZMO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-9-10-26-22(12-15)27-23(18-14-17(30-3)7-8-20(18)31-4)19-13-16(2)33-25(19)28-24(29)21-6-5-11-32-21/h5-14,23H,1-4H3,(H,26,27)(H,28,29)/t23-/m1/s1.

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

N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(2,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95060069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).