2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide

C20H26N2O6S — CID 2273760

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O6S/c1-26-13-7-12-21-20(23)15-22(29(24,25)17-8-5-4-6-9-17)18-14-16(27-2)10-11-19(18)28-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23)
InChIKeyLWXUDHNSDAKHGQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.05
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide (PubChem CID 2273760) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide
PubChem CID2273760
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O6S/c1-26-13-7-12-21-20(23)15-22(29(24,25)17-8-5-4-6-9-17)18-14-16(27-2)10-11-19(18)28-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23)
InChIKeyLWXUDHNSDAKHGQ-UHFFFAOYSA-N
XLogP2.05
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide 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

4-(Benzenesulfonyl)-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 22557272
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-bicyclo[2.2.1]hept-2-yl-2-[2,5-dimethoxy(phenylsulfonyl)anilino]acetamide
CID 3144161
N-(2,5-dimethoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846544
N-(2,5-Dimethoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 1102396
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-phenyl-acetamide
CID 645150
2-(4-Methoxy-benzenesulfonylamino)-N-phenyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 649466

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide (CID 2273760) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide?
The InChIKey is LWXUDHNSDAKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-26-13-7-12-21-20(23)15-22(29(24,25)17-8-5-4-6-9-17)18-14-16(27-2)10-11-19(18)28-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide has a molecular weight of 422.50 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2273760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).