(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C35H41N5O5S — CID 58614241

About (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 58614241) has the molecular formula C35H41N5O5S and a molecular weight of 643.81 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
• PubChem CID: 58614241
• Molecular Formula: C35H41N5O5S
• Molecular Weight: 643.81 g/mol
• Exact Mass: 643.28
• IUPAC Name: (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
• SMILES: O=C(/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2ccccc12)Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1)NO
• InChI: InChI=1S/C35H41N5O5S/c41-35(38-42)14-8-26-7-12-32-28(23-26)9-13-34(32)40(17-15-29-24-36-33-4-2-1-3-31(29)33)25-27-5-10-30(11-6-27)46(43,44)37-16-18-39-19-21-45-22-20-39/h1-8,10-12,14,23-24,34,36-37,42H,9,13,15-22,25H2,(H,38,41)/b14-8+
• InChIKey: YQPDEDLVJYPMJL-RIYZIHGNSA-N
• XLogP: 4.03
• TPSA: 127.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.81
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The IUPAC name of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 58614241) is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The canonical SMILES for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2ccccc12)Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1)NO.

What is the InChIKey of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

The InChIKey is YQPDEDLVJYPMJL-RIYZIHGNSA-N. The full InChI is InChI=1S/C35H41N5O5S/c41-35(38-42)14-8-26-7-12-32-28(23-26)9-13-34(32)40(17-15-29-24-36-33-4-2-1-3-31(29)33)25-27-5-10-30(11-6-27)46(43,44)37-16-18-39-19-21-45-22-20-39/h1-8,10-12,14,23-24,34,36-37,42H,9,13,15-22,25H2,(H,38,41)/b14-8+.

What are the key properties of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?

(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 643.81 g/mol, XLogP of 4.03, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 58614241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).