N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide

C22H22N2O4S — CID 38736892

IUPACN-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C22H22N2O4S/c1-16-11-12-18(15-21(16)29(23,26)27)24-22(25)13-14-28-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyIQPZAICTWUPWHV-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.72
Rot. Bonds7

About N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide

N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide (PubChem CID 38736892) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
PubChem CID38736892
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C22H22N2O4S/c1-16-11-12-18(15-21(16)29(23,26)27)24-22(25)13-14-28-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyIQPZAICTWUPWHV-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-(2-phenylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 52579450
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
N-(5-methyl-2-pyridinyl)-3-(2-phenylphenoxy)propanamide
CID 52710581
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55329553
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-3-(2-phenylphenoxy)propanamide
CID 55880873

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide (CID 38736892) is N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide is Cc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide?
The InChIKey is IQPZAICTWUPWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-11-12-18(15-21(16)29(23,26)27)24-22(25)13-14-28-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide?
N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide has a molecular weight of 410.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide is sourced from PubChem (CID 38736892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).