N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C20H19BrN2O2S — CID 56565449

About N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56565449) has the molecular formula C20H19BrN2O2S and a molecular weight of 431.36 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56565449
• Molecular Formula: C20H19BrN2O2S
• Molecular Weight: 431.36 g/mol
• Exact Mass: 430.04
• IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)NCc1cc(Br)cs1
• InChI: InChI=1S/C20H19BrN2O2S/c1-13-8-14-4-2-3-5-18(14)23(13)11-19-17(6-7-25-19)20(24)22-10-16-9-15(21)12-26-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,22,24)
• InChIKey: VDVOTPLBUAQOSR-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.36
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56565449) is N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)NCc1cc(Br)cs1.

What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is VDVOTPLBUAQOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2S/c1-13-8-14-4-2-3-5-18(14)23(13)11-19-17(6-7-25-19)20(24)22-10-16-9-15(21)12-26-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,22,24).

What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).