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

C24H22BrN3O2S — CID 93480237

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

N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93480237) has the molecular formula C24H22BrN3O2S and a molecular weight of 496.43 g/mol. Its IUPAC name is N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93480237
• Molecular Formula: C24H22BrN3O2S
• Molecular Weight: 496.43 g/mol
• Exact Mass: 495.06
• IUPAC Name: N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@H](Nc2cccc(C)n2)c2cccc(Br)c2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C24H22BrN3O2S/c1-3-18-14-19(24(31-18)28-23(29)20-10-6-12-30-20)22(16-8-5-9-17(25)13-16)27-21-11-4-7-15(2)26-21/h4-14,22H,3H2,1-2H3,(H,26,27)(H,28,29)/t22-/m1/s1
• InChIKey: HSJSZPLRCJAHIW-JOCHJYFZSA-N
• XLogP: 6.82
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.43
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 93480237) is N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](Nc2cccc(C)n2)c2cccc(Br)c2)c(NC(=O)c2ccco2)s1.

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

The InChIKey is HSJSZPLRCJAHIW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22BrN3O2S/c1-3-18-14-19(24(31-18)28-23(29)20-10-6-12-30-20)22(16-8-5-9-17(25)13-16)27-21-11-4-7-15(2)26-21/h4-14,22H,3H2,1-2H3,(H,26,27)(H,28,29)/t22-/m1/s1.

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

N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 496.43 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).