N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide

C34H39N5O5S — CID 68789646

About N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide

N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide (PubChem CID 68789646) has the molecular formula C34H39N5O5S and a molecular weight of 629.78 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide
• PubChem CID: 68789646
• Molecular Formula: C34H39N5O5S
• Molecular Weight: 629.78 g/mol
• Exact Mass: 629.27
• IUPAC Name: N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide
• SMILES: CCN(CC)CCNC(=O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2
• InChI: InChI=1S/C34H39N5O5S/c1-3-38(4-2)19-17-35-32(41)15-13-24-29(36-28-9-7-11-31(40)33(24)28)21-26-25-20-23(12-14-27(25)37-34(26)42)45(43,44)39-18-16-22-8-5-6-10-30(22)39/h5-6,8,10,12,14,20-21,36H,3-4,7,9,11,13,15-19H2,1-2H3,(H,35,41)(H,37,42)
• InChIKey: HTEJVNIXRHMQEE-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 131.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.78
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide (CID 68789646) is N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide is CCN(CC)CCNC(=O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2.

What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide?

The InChIKey is HTEJVNIXRHMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5S/c1-3-38(4-2)19-17-35-32(41)15-13-24-29(36-28-9-7-11-31(40)33(24)28)21-26-25-20-23(12-14-27(25)37-34(26)42)45(43,44)39-18-16-22-8-5-6-10-30(22)39/h5-6,8,10,12,14,20-21,36H,3-4,7,9,11,13,15-19H2,1-2H3,(H,35,41)(H,37,42).

What are the key properties of N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide?

N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide has a molecular weight of 629.78 g/mol, XLogP of 4.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanamide is sourced from PubChem (CID 68789646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).