2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide

C24H34N2O4S — CID 133165331

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(C(=O)NCCOc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-7-21(26(31(6,28)29)22-16-18(4)12-13-19(22)5)24(27)25-14-15-30-23-11-9-8-10-20(23)17(2)3/h8-13,16-17,21H,7,14-15H2,1-6H3,(H,25,27)
InChIKeyAFHAYCZNQLIWAZ-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.17
Rot. Bonds10

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (PubChem CID 133165331) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
PubChem CID133165331
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(C(=O)NCCOc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-7-21(26(31(6,28)29)22-16-18(4)12-13-19(22)5)24(27)25-14-15-30-23-11-9-8-10-20(23)17(2)3/h8-13,16-17,21H,7,14-15H2,1-6H3,(H,25,27)
InChIKeyAFHAYCZNQLIWAZ-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.17
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

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166143
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252048
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165258
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165223
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 132659636
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 125082584
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166075
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 94848393
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (CID 133165331) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is CCC(C(=O)NCCOc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The InChIKey is AFHAYCZNQLIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-7-21(26(31(6,28)29)22-16-18(4)12-13-19(22)5)24(27)25-14-15-30-23-11-9-8-10-20(23)17(2)3/h8-13,16-17,21H,7,14-15H2,1-6H3,(H,25,27).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide has a molecular weight of 446.61 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133165331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).