N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide

C24H34N2O4S — CID 133229475

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-7-22(26(31(6,28)29)20-12-8-18(2)9-13-20)23(27)25-16-17-30-21-14-10-19(11-15-21)24(3,4)5/h8-15,22H,7,16-17H2,1-6H3,(H,25,27)
InChIKeyHRSWHKQLUGAGIC-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.03
Rot. Bonds9

About N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 133229475) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID133229475
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O4S/c1-7-22(26(31(6,28)29)20-12-8-18(2)9-13-20)23(27)25-16-17-30-21-14-10-19(11-15-21)24(3,4)5/h8-15,22H,7,16-17H2,1-6H3,(H,25,27)
InChIKeyHRSWHKQLUGAGIC-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.03
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

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133229549
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132669090
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166075
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 125078154

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide (CID 133229475) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is HRSWHKQLUGAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-7-22(26(31(6,28)29)20-12-8-18(2)9-13-20)23(27)25-16-17-30-21-14-10-19(11-15-21)24(3,4)5/h8-15,22H,7,16-17H2,1-6H3,(H,25,27).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 446.61 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133229475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).