2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide

C21H28N2O4S — CID 11682865

IUPAC2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(16-6-10-18(11-7-16)23-28(5,25)26)22-20(24)14-27-19-12-8-17(9-13-19)21(2,3)4/h6-13,15,23H,14H2,1-5H3,(H,22,24)/t15-/m1/s1
InChIKeyUXUBIVIYCYOPNL-OAHLLOKOSA-N
MW404.53 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide (PubChem CID 11682865) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide
PubChem CID11682865
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(16-6-10-18(11-7-16)23-28(5,25)26)22-20(24)14-27-19-12-8-17(9-13-19)21(2,3)4/h6-13,15,23H,14H2,1-5H3,(H,22,24)/t15-/m1/s1
InChIKeyUXUBIVIYCYOPNL-OAHLLOKOSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide (CID 11682865) is 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide is C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The InChIKey is UXUBIVIYCYOPNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(16-6-10-18(11-7-16)23-28(5,25)26)22-20(24)14-27-19-12-8-17(9-13-19)21(2,3)4/h6-13,15,23H,14H2,1-5H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide is sourced from PubChem (CID 11682865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).