N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C20H32N2O7S2 — CID 55598179

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H32N2O7S2/c1-27-14-15-29-19-3-5-20(6-4-19)31(25,26)22(18-7-16-30(23,24)17-18)9-2-8-21-10-12-28-13-11-21/h3-6,18H,2,7-17H2,1H3
InChIKeyYKOMZTCTPPVKCB-UHFFFAOYSA-N
MW476.62 g/mol
LogP0.61
Rot. Bonds11

About N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 55598179) has the molecular formula C20H32N2O7S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID55598179
Molecular FormulaC20H32N2O7S2
Molecular Weight476.62 g/mol
Exact Mass476.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H32N2O7S2/c1-27-14-15-29-19-3-5-20(6-4-19)31(25,26)22(18-7-16-30(23,24)17-18)9-2-8-21-10-12-28-13-11-21/h3-6,18H,2,7-17H2,1H3
InChIKeyYKOMZTCTPPVKCB-UHFFFAOYSA-N
XLogP0.61
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide 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

methyl 4-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55434726
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375077
methyl 3-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55516389
N-(1,1-dioxothiolan-3-yl)-2,3,4,5,6-pentamethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55383917
N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375071
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
CID 146094195
N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)-2-nitrobenzenesulfonamide
CID 55384160
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55689495
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55537846
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
CID 55639384
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
3-[[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]-methylamino]propanenitrile
CID 55598260

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 55598179) is N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is YKOMZTCTPPVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O7S2/c1-27-14-15-29-19-3-5-20(6-4-19)31(25,26)22(18-7-16-30(23,24)17-18)9-2-8-21-10-12-28-13-11-21/h3-6,18H,2,7-17H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 476.62 g/mol, XLogP of 0.61, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 55598179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).