[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium

C18H20N3O5S+ — CID 6968722

IUPAC[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C18H19N3O5S/c1-26-14-6-4-13(5-7-14)21-17(22)10-16(18(21)23)20-11-12-2-8-15(9-3-12)27(19,24)25/h2-9,16,20H,10-11H2,1H3,(H2,19,24,25)/p+1/t16-/m0/s1
InChIKeyNTJIUANECCEGKP-INIZCTEOSA-O
MW390.44 g/mol
LogP-0.26
Rot. Bonds6

About [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium

[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium (PubChem CID 6968722) has the molecular formula C18H20N3O5S+ and a molecular weight of 390.44 g/mol. Its IUPAC name is [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
PubChem CID6968722
Molecular FormulaC18H20N3O5S+
Molecular Weight390.44 g/mol
Exact Mass390.11
IUPAC Name[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C18H19N3O5S/c1-26-14-6-4-13(5-7-14)21-17(22)10-16(18(21)23)20-11-12-2-8-15(9-3-12)27(19,24)25/h2-9,16,20H,10-11H2,1H3,(H2,19,24,25)/p+1/t16-/m0/s1
InChIKeyNTJIUANECCEGKP-INIZCTEOSA-O
XLogP-0.26
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium 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

[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968725
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
CID 7320954
[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6960635
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4168854
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
4-[3-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25043192
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25037912
2-(1-adamantyloxy)ethyl-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7122568

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The IUPAC name of [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium (CID 6968722) is [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium.
What is the SMILES notation for [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The canonical SMILES for [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium is COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The InChIKey is NTJIUANECCEGKP-INIZCTEOSA-O. The full InChI is InChI=1S/C18H19N3O5S/c1-26-14-6-4-13(5-7-14)21-17(22)10-16(18(21)23)20-11-12-2-8-15(9-3-12)27(19,24)25/h2-9,16,20H,10-11H2,1H3,(H2,19,24,25)/p+1/t16-/m0/s1.
What are the key properties of [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium?
[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium has a molecular weight of 390.44 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium is sourced from PubChem (CID 6968722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).