4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

C22H28N2O4S — CID 55689802

IUPAC4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-15(2)14-17-4-6-19(7-5-17)21(25)12-13-22(26)24-16(3)18-8-10-20(11-9-18)29(23,27)28/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyXDUFLADVPYGZHE-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.37
Rot. Bonds9

About 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 55689802) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID55689802
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-15(2)14-17-4-6-19(7-5-17)21(25)12-13-22(26)24-16(3)18-8-10-20(11-9-18)29(23,27)28/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyXDUFLADVPYGZHE-UHFFFAOYSA-N
XLogP3.37
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 7986584
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (CID 55689802) is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is CC(C)Cc1ccc(C(=O)CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is XDUFLADVPYGZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15(2)14-17-4-6-19(7-5-17)21(25)12-13-22(26)24-16(3)18-8-10-20(11-9-18)29(23,27)28/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H2,23,27,28).
What are the key properties of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 416.54 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 55689802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).