N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide

C19H25NO4S — CID 55676521

IUPACN-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-20(15-17-7-5-6-16(2)14-17)25(21,22)19-10-8-18(9-11-19)24-13-12-23-3/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyDVJVWMZEAOBCEI-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.23
Rot. Bonds9

About N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide

N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 55676521) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID55676521
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-20(15-17-7-5-6-16(2)14-17)25(21,22)19-10-8-18(9-11-19)24-13-12-23-3/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyDVJVWMZEAOBCEI-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 86983221
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
2-(3-methylphenoxy)ethyl 4-(diethylsulfamoyl)benzoate
CID 2557330
4-ethoxy-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319337
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
2-[ethyl-[(3-methylphenyl)methyl]sulfamoyl]acetic acid
CID 60951415
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 40750825
4-ethoxy-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146065530
3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61062149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 55676521) is N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide is CCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DVJVWMZEAOBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-20(15-17-7-5-6-16(2)14-17)25(21,22)19-10-8-18(9-11-19)24-13-12-23-3/h5-11,14H,4,12-13,15H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55676521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).