N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C21H19N3O3S — CID 2465140

About N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 2465140) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 2465140
• Molecular Formula: C21H19N3O3S
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.11
• IUPAC Name: N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)c1cccs1
• InChI: InChI=1S/C21H19N3O3S/c25-20(23-13-15-5-3-9-27-15)18(24-21(26)19-8-4-10-28-19)11-14-12-22-17-7-2-1-6-16(14)17/h1-10,12,18,22H,11,13H2,(H,23,25)(H,24,26)/t18-/m0/s1
• InChIKey: PSZDCOBSEBQOOX-SFHVURJKSA-N
• XLogP: 3.48
• TPSA: 87.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 2465140) is N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)c1cccs1.

What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is PSZDCOBSEBQOOX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-20(23-13-15-5-3-9-27-15)18(24-21(26)19-8-4-10-28-19)11-14-12-22-17-7-2-1-6-16(14)17/h1-10,12,18,22H,11,13H2,(H,23,25)(H,24,26)/t18-/m0/s1.

What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2465140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).