2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide

C22H23NO3S — CID 90518830

IUPAC2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-18-12-14-20(15-13-18)26-16-17-27(24,25)23-22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-15,23H,2,16-17H2,1H3
InChIKeyBKVCMXROCUHICS-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.74
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide

2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide (PubChem CID 90518830) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
PubChem CID90518830
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-18-12-14-20(15-13-18)26-16-17-27(24,25)23-22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-15,23H,2,16-17H2,1H3
InChIKeyBKVCMXROCUHICS-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
CID 90518914
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
CID 90518837
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
CID 79042980
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide (CID 90518830) is 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide?
The InChIKey is BKVCMXROCUHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-2-18-12-14-20(15-13-18)26-16-17-27(24,25)23-22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-15,23H,2,16-17H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide?
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide is sourced from PubChem (CID 90518830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).