N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide

C21H28N2O5S — CID 8801525

IUPACN-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NC(C)=O
InChIInChI=1S/C21H28N2O5S/c1-15(24)23-19-14-18(10-11-20(19)27-5)29(25,26)22-12-13-28-17-8-6-16(7-9-17)21(2,3)4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyAJVXPVXKUDWSME-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.31
Rot. Bonds8

About N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 8801525) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID8801525
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NC(C)=O
InChIInChI=1S/C21H28N2O5S/c1-15(24)23-19-14-18(10-11-20(19)27-5)29(25,26)22-12-13-28-17-8-6-16(7-9-17)21(2,3)4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyAJVXPVXKUDWSME-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
CID 82725075
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
CID 27302594
N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 8800569
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
N-[2-(4-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100545
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 46972031
N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 94141161

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide (CID 8801525) is N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NC(C)=O.
What is the InChIKey of N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is AJVXPVXKUDWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(24)23-19-14-18(10-11-20(19)27-5)29(25,26)22-12-13-28-17-8-6-16(7-9-17)21(2,3)4/h6-11,14,22H,12-13H2,1-5H3,(H,23,24).
What are the key properties of N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 8801525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).