(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide

C20H22N2O5S — CID 89263089

IUPAC(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
SMILESCOCOc1ccccc1/C=C1\C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc21
InChIInChI=1S/C20H22N2O5S/c1-13(2)22-28(24,25)15-8-9-18-16(11-15)17(20(23)21-18)10-14-6-4-5-7-19(14)27-12-26-3/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b17-10-
InChIKeyHYECOHTXDZVPRN-YVLHZVERSA-N
MW402.47 g/mol
LogP2.85
Rot. Bonds7

About (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide

(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide (PubChem CID 89263089) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
PubChem CID89263089
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide
SMILESCOCOc1ccccc1/C=C1\C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc21
InChIInChI=1S/C20H22N2O5S/c1-13(2)22-28(24,25)15-8-9-18-16(11-15)17(20(23)21-18)10-14-6-4-5-7-19(14)27-12-26-3/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b17-10-
InChIKeyHYECOHTXDZVPRN-YVLHZVERSA-N
XLogP2.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide (CID 89263089) is (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide is COCOc1ccccc1/C=C1\C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc21.
What is the InChIKey of (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide?
The InChIKey is HYECOHTXDZVPRN-YVLHZVERSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-13(2)22-28(24,25)15-8-9-18-16(11-15)17(20(23)21-18)10-14-6-4-5-7-19(14)27-12-26-3/h4-11,13,22H,12H2,1-3H3,(H,21,23)/b17-10-.
What are the key properties of (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide?
(3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide has a molecular weight of 402.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(methoxymethoxy)phenyl]methylidene]-2-oxo-N-propan-2-yl-1H-indole-5-sulfonamide is sourced from PubChem (CID 89263089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).