N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide

C12H17NO4S — CID 82164431

IUPACN-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-12(14)10-4-6-11(7-5-10)18(15,16)13-8-9-17-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJVUOOBMHZRZNNY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.20
Rot. Bonds7

About N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide

N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide (PubChem CID 82164431) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
PubChem CID82164431
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-12(14)10-4-6-11(7-5-10)18(15,16)13-8-9-17-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJVUOOBMHZRZNNY-UHFFFAOYSA-N
XLogP1.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
CID 94779348
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide (CID 82164431) is N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide is CCC(=O)c1ccc(S(=O)(=O)NCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide?
The InChIKey is JVUOOBMHZRZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-12(14)10-4-6-11(7-5-10)18(15,16)13-8-9-17-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide?
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide is sourced from PubChem (CID 82164431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).