4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide

C22H30N2O4S — CID 55711441

IUPAC4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCc2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-15-7-10-21(25)23-16-17-8-5-6-9-20(17)24-29(4,26)27/h5-6,8-9,11-14,24H,7,10,15-16H2,1-4H3,(H,23,25)
InChIKeyATXUKKKYSOJGTK-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.83
Rot. Bonds9

About 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide

4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide (PubChem CID 55711441) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
PubChem CID55711441
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCc2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-15-7-10-21(25)23-16-17-8-5-6-9-20(17)24-29(4,26)27/h5-6,8-9,11-14,24H,7,10,15-16H2,1-4H3,(H,23,25)
InChIKeyATXUKKKYSOJGTK-UHFFFAOYSA-N
XLogP3.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55711321
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-(4-tert-butylphenoxy)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55619311
1-[(4-tert-butylphenyl)methyl]-3-[[2-(methanesulfonamido)phenyl]methyl]thiourea
CID 59088037
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 86934968
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide
CID 7929940
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide (CID 55711441) is 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide is CC(C)(C)c1ccc(OCCCC(=O)NCc2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
The InChIKey is ATXUKKKYSOJGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-15-7-10-21(25)23-16-17-8-5-6-9-20(17)24-29(4,26)27/h5-6,8-9,11-14,24H,7,10,15-16H2,1-4H3,(H,23,25).
What are the key properties of 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide?
4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide is sourced from PubChem (CID 55711441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).