N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

C24H23N3O3S — CID 93479812

About N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93479812) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479812
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• SMILES: COc1ccccc1[C@@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccco1
• InChI: InChI=1S/C24H23N3O3S/c1-15-8-6-12-21(25-15)26-22(17-9-4-5-10-19(17)29-3)18-14-16(2)31-24(18)27-23(28)20-11-7-13-30-20/h4-14,22H,1-3H3,(H,25,26)(H,27,28)/t22-/m1/s1
• InChIKey: DEQHHHBVSVIHQZ-JOCHJYFZSA-N
• XLogP: 5.82
• TPSA: 76.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 93479812) is N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is COc1ccccc1[C@@H](Nc1cccc(C)n1)c1cc(C)sc1NC(=O)c1ccco1.

What is the InChIKey of N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is DEQHHHBVSVIHQZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-8-6-12-21(25-15)26-22(17-9-4-5-10-19(17)29-3)18-14-16(2)31-24(18)27-23(28)20-11-7-13-30-20/h4-14,22H,1-3H3,(H,25,26)(H,27,28)/t22-/m1/s1.

What are the key properties of N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).