N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide

C22H22N2O4S — CID 24575363

IUPACN-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-2-9-19(10-3-16)28-20-11-7-18(8-12-20)24-22(25)15-6-17-4-13-21(14-5-17)29(23,26)27/h2-5,7-14H,6,15H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyGOBMAXDTVUOTTQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.01
Rot. Bonds7

About N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide

N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 24575363) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID24575363
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-2-9-19(10-3-16)28-20-11-7-18(8-12-20)24-22(25)15-6-17-4-13-21(14-5-17)29(23,26)27/h2-5,7-14H,6,15H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyGOBMAXDTVUOTTQ-UHFFFAOYSA-N
XLogP4.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
N-[4-(4-methylphenoxy)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24503032
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide (CID 24575363) is N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide is Cc1ccc(Oc2ccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is GOBMAXDTVUOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-2-9-19(10-3-16)28-20-11-7-18(8-12-20)24-22(25)15-6-17-4-13-21(14-5-17)29(23,26)27/h2-5,7-14H,6,15H2,1H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide?
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 410.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24575363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).