1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione

C20H20N2O6S — CID 42624536

IUPAC1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H20N2O6S/c1-27-15-4-2-14(3-5-15)13-22-18-7-6-16(12-17(18)19(23)20(22)24)29(25,26)21-8-10-28-11-9-21/h2-7,12H,8-11,13H2,1H3
InChIKeyJFHCPVCIDURGGU-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.45
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione

1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (PubChem CID 42624536) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
PubChem CID42624536
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H20N2O6S/c1-27-15-4-2-14(3-5-15)13-22-18-7-6-16(12-17(18)19(23)20(22)24)29(25,26)21-8-10-28-11-9-21/h2-7,12H,8-11,13H2,1H3
InChIKeyJFHCPVCIDURGGU-UHFFFAOYSA-N
XLogP1.45
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2662285
5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
CID 3283445
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4559425
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
CID 20964947
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
CID 141372246
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316042
5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
CID 4574907
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850522

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (CID 42624536) is 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The InChIKey is JFHCPVCIDURGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-27-15-4-2-14(3-5-15)13-22-18-7-6-16(12-17(18)19(23)20(22)24)29(25,26)21-8-10-28-11-9-21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione has a molecular weight of 416.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 42624536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).