(3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

C26H26N4O5S — CID 58779642

About (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 58779642) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

• Compound Name: (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
• PubChem CID: 58779642
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c(C)c1-c1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C26H26N4O5S/c1-15-23(14-21-20-13-19(36(27,33)34)7-8-22(20)29-25(21)31)28-16(2)24(15)17-3-5-18(6-4-17)26(32)30-9-11-35-12-10-30/h3-8,13-14,28H,9-12H2,1-2H3,(H,29,31)(H2,27,33,34)/b21-14-
• InChIKey: MUXUOEMGHWTEHV-STZFKDTASA-N
• XLogP: 2.91
• TPSA: 134.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 58779642) is (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

What is the SMILES notation for (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c(C)c1-c1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The InChIKey is MUXUOEMGHWTEHV-STZFKDTASA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-15-23(14-21-20-13-19(36(27,33)34)7-8-22(20)29-25(21)31)28-16(2)24(15)17-3-5-18(6-4-17)26(32)30-9-11-35-12-10-30/h3-8,13-14,28H,9-12H2,1-2H3,(H,29,31)(H2,27,33,34)/b21-14-.

What are the key properties of (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

(3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 506.58 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 58779642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).