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

C25H30N4O4S — CID 10184478

IUPAC(3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C(\C)C1Cc3cc(OCCN4CCCC4)ccc3N1)C(=O)N2
InChIInChI=1S/C25H30N4O4S/c1-16(24-20-15-19(34(31,32)26-2)6-8-22(20)28-25(24)30)23-14-17-13-18(5-7-21(17)27-23)33-12-11-29-9-3-4-10-29/h5-8,13,15,23,26-27H,3-4,9-12,14H2,1-2H3,(H,28,30)/b24-16-
InChIKeyZWJCFWNNBMXNJW-JLPGSUDCSA-N
MW482.61 g/mol
LogP2.83
Rot. Bonds7

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

(3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide (PubChem CID 10184478) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide
PubChem CID10184478
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name(3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C(\C)C1Cc3cc(OCCN4CCCC4)ccc3N1)C(=O)N2
InChIInChI=1S/C25H30N4O4S/c1-16(24-20-15-19(34(31,32)26-2)6-8-22(20)28-25(24)30)23-14-17-13-18(5-7-21(17)27-23)33-12-11-29-9-3-4-10-29/h5-8,13,15,23,26-27H,3-4,9-12,14H2,1-2H3,(H,28,30)/b24-16-
InChIKeyZWJCFWNNBMXNJW-JLPGSUDCSA-N
XLogP2.83
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide (CID 10184478) is (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C(\C)C1Cc3cc(OCCN4CCCC4)ccc3N1)C(=O)N2.
What is the InChIKey of (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide?
The InChIKey is ZWJCFWNNBMXNJW-JLPGSUDCSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-16(24-20-15-19(34(31,32)26-2)6-8-22(20)28-25(24)30)23-14-17-13-18(5-7-21(17)27-23)33-12-11-29-9-3-4-10-29/h5-8,13,15,23,26-27H,3-4,9-12,14H2,1-2H3,(H,28,30)/b24-16-.
What are the key properties of (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide?
(3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide has a molecular weight of 482.61 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-2-oxo-3-[1-[5-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 10184478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).