(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide

C30H32N4O5S — CID 10144317

IUPAC(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1
InChIInChI=1S/C30H32N4O5S/c1-20(28-18-21-17-23(7-9-26(21)31-28)39-16-13-34-11-14-38-15-12-34)29-25-19-24(8-10-27(25)32-30(29)35)40(36,37)33-22-5-3-2-4-6-22/h2-10,17,19,28,31,33H,11-16,18H2,1H3,(H,32,35)/b29-20-
InChIKeyHLPAYAXCMKVHJM-BRPDVVIDSA-N
MW560.68 g/mol
LogP3.96
Rot. Bonds8

About (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide

(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide (PubChem CID 10144317) has the molecular formula C30H32N4O5S and a molecular weight of 560.68 g/mol. Its IUPAC name is (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide
PubChem CID10144317
Molecular FormulaC30H32N4O5S
Molecular Weight560.68 g/mol
Exact Mass560.21
IUPAC Name(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1
InChIInChI=1S/C30H32N4O5S/c1-20(28-18-21-17-23(7-9-26(21)31-28)39-16-13-34-11-14-38-15-12-34)29-25-19-24(8-10-27(25)32-30(29)35)40(36,37)33-22-5-3-2-4-6-22/h2-10,17,19,28,31,33H,11-16,18H2,1H3,(H,32,35)/b29-20-
InChIKeyHLPAYAXCMKVHJM-BRPDVVIDSA-N
XLogP3.96
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.68
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide (CID 10144317) is (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide is C/C(=C1/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc21)C1Cc2cc(OCCN3CCOCC3)ccc2N1.
What is the InChIKey of (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide?
The InChIKey is HLPAYAXCMKVHJM-BRPDVVIDSA-N. The full InChI is InChI=1S/C30H32N4O5S/c1-20(28-18-21-17-23(7-9-26(21)31-28)39-16-13-34-11-14-38-15-12-34)29-25-19-24(8-10-27(25)32-30(29)35)40(36,37)33-22-5-3-2-4-6-22/h2-10,17,19,28,31,33H,11-16,18H2,1H3,(H,32,35)/b29-20-.
What are the key properties of (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide?
(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide has a molecular weight of 560.68 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 10144317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).