N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide

C17H27NO6S2 — CID 55639384

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCOC)c(C)c1
InChIInChI=1S/C17H27NO6S2/c1-4-8-18(15-7-11-25(19,20)13-15)26(21,22)16-5-6-17(14(2)12-16)24-10-9-23-3/h5-6,12,15H,4,7-11,13H2,1-3H3
InChIKeyBDXCZZJUIOUFJP-UHFFFAOYSA-N
MW405.54 g/mol
LogP1.61
Rot. Bonds9

About N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide (PubChem CID 55639384) has the molecular formula C17H27NO6S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
PubChem CID55639384
Molecular FormulaC17H27NO6S2
Molecular Weight405.54 g/mol
Exact Mass405.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCOC)c(C)c1
InChIInChI=1S/C17H27NO6S2/c1-4-8-18(15-7-11-25(19,20)13-15)26(21,22)16-5-6-17(14(2)12-16)24-10-9-23-3/h5-6,12,15H,4,7-11,13H2,1-3H3
InChIKeyBDXCZZJUIOUFJP-UHFFFAOYSA-N
XLogP1.61
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide 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

N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797616
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
CID 9188070
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55598179
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzenesulfonamide
CID 26942262
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
CID 55578389

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide (CID 55639384) is N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide is CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCOC)c(C)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is BDXCZZJUIOUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO6S2/c1-4-8-18(15-7-11-25(19,20)13-15)26(21,22)16-5-6-17(14(2)12-16)24-10-9-23-3/h5-6,12,15H,4,7-11,13H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide has a molecular weight of 405.54 g/mol, XLogP of 1.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 55639384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).