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

C24H34N2O5S — CID 133252110

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O5S/c1-7-22(26(32(6,28)29)19-10-14-20(30-5)15-11-19)23(27)25-16-17-31-21-12-8-18(9-13-21)24(2,3)4/h8-15,22H,7,16-17H2,1-6H3,(H,25,27)
InChIKeyIHUKAVDQEXNMMN-UHFFFAOYSA-N
MW462.61 g/mol
LogP3.73
Rot. Bonds10

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

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 133252110) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID133252110
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O5S/c1-7-22(26(32(6,28)29)19-10-14-20(30-5)15-11-19)23(27)25-16-17-31-21-12-8-18(9-13-21)24(2,3)4/h8-15,22H,7,16-17H2,1-6H3,(H,25,27)
InChIKeyIHUKAVDQEXNMMN-UHFFFAOYSA-N
XLogP3.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133231241
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133229549
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133239121
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide
CID 125066054

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 133252110) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is IHUKAVDQEXNMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-7-22(26(32(6,28)29)19-10-14-20(30-5)15-11-19)23(27)25-16-17-31-21-12-8-18(9-13-21)24(2,3)4/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-methoxy-N-methylsulfonylanilino)butanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 462.61 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133252110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).