2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

C17H20N2O4S — CID 54783367

IUPAC2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-13(2)17(20)19-11-14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyCLQQLKVOZQTHAX-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 54783367) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID54783367
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-13(2)17(20)19-11-14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyCLQQLKVOZQTHAX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55812284
2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043470
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 54783367) is 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is CLQQLKVOZQTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-3-7-15(8-4-12)23-13(2)17(20)19-11-14-5-9-16(10-6-14)24(18,21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 54783367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).