N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide

C17H21NO3S — CID 35767256

IUPACN-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1N(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-18(16-8-6-7-9-17(16)21-5-2)22(19,20)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3
InChIKeyUTKDRNGQVGSMIR-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.61
Rot. Bonds6

About N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide

N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 35767256) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
PubChem CID35767256
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1N(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-18(16-8-6-7-9-17(16)21-5-2)22(19,20)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3
InChIKeyUTKDRNGQVGSMIR-UHFFFAOYSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
N-cyclohexyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998717
N-(2-ethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21371946
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50893461
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide (CID 35767256) is N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide is CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is UTKDRNGQVGSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-18(16-8-6-7-9-17(16)21-5-2)22(19,20)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 35767256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).