N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C24H26N2O4S — CID 4928885

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18(2)20-8-12-22(13-9-20)30-17-24(27)26-21-10-14-23(15-11-21)31(28,29)25-16-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3,(H,26,27)
InChIKeyQCAGSCLCZAASDP-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.31
Rot. Bonds9

About N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 4928885) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID4928885
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18(2)20-8-12-22(13-9-20)30-17-24(27)26-21-10-14-23(15-11-21)31(28,29)25-16-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3,(H,26,27)
InChIKeyQCAGSCLCZAASDP-UHFFFAOYSA-N
XLogP4.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 4928885) is N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QCAGSCLCZAASDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18(2)20-8-12-22(13-9-20)30-17-24(27)26-21-10-14-23(15-11-21)31(28,29)25-16-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4928885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).