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

C17H20N2O4S — CID 108789911

IUPAC3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-2-6-15(7-3-13)23-11-10-17(20)19-12-14-4-8-16(9-5-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyDBULMJCRQUWZGH-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.73
Rot. Bonds7

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

3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 108789911) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID108789911
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-2-6-15(7-3-13)23-11-10-17(20)19-12-14-4-8-16(9-5-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyDBULMJCRQUWZGH-UHFFFAOYSA-N
XLogP1.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 108789911) is 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is Cc1ccc(OCCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is DBULMJCRQUWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-2-6-15(7-3-13)23-11-10-17(20)19-12-14-4-8-16(9-5-14)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 1.73, 7 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-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 108789911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).