(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide

C19H19N3O5S — CID 5331084

IUPAC(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
InChIKeyFNZUUGCKBYLYMM-ZSOIEALJSA-N
MW401.44 g/mol
LogP1.91
Rot. Bonds4

About (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide

(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide (PubChem CID 5331084) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide
PubChem CID5331084
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
InChIKeyFNZUUGCKBYLYMM-ZSOIEALJSA-N
XLogP1.91
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide (CID 5331084) is (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide is CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2.
What is the InChIKey of (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide?
The InChIKey is FNZUUGCKBYLYMM-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-.
What are the key properties of (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide?
(3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-N-propan-2-yl-1H-indole-5-sulfonamide is sourced from PubChem (CID 5331084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).