3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide

C17H20N2O4S — CID 9140975

IUPAC3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-10-9-17(20)19-14-6-5-13(2)16(11-14)24(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyIDGMUEDDRKWQKU-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds6

About 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide

3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 9140975) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID9140975
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-10-9-17(20)19-14-6-5-13(2)16(11-14)24(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyIDGMUEDDRKWQKU-UHFFFAOYSA-N
XLogP2.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
N-(4-methyl-3-sulfamoylphenyl)-3-(2-phenylphenoxy)propanamide
CID 38736892
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637727
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 9140975) is 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is IDGMUEDDRKWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-10-9-17(20)19-14-6-5-13(2)16(11-14)24(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).