4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide

C19H22ClNO4S — CID 55613294

IUPAC4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO4S/c1-3-26(23,24)18-8-5-4-7-17(18)21-19(22)9-6-12-25-15-10-11-16(20)14(2)13-15/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChIKeyXBBFGSJOEYMQHK-UHFFFAOYSA-N
MW395.91 g/mol
LogP4.24
Rot. Bonds8

About 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide (PubChem CID 55613294) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
PubChem CID55613294
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO4S/c1-3-26(23,24)18-8-5-4-7-17(18)21-19(22)9-6-12-25-15-10-11-16(20)14(2)13-15/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChIKeyXBBFGSJOEYMQHK-UHFFFAOYSA-N
XLogP4.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.24
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

4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 17485300
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199775
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
CID 55983828
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide (CID 55613294) is 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide is CCS(=O)(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide?
The InChIKey is XBBFGSJOEYMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-3-26(23,24)18-8-5-4-7-17(18)21-19(22)9-6-12-25-15-10-11-16(20)14(2)13-15/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide has a molecular weight of 395.91 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide is sourced from PubChem (CID 55613294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).