3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

C21H23N3O5S — CID 2431427

IUPAC3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1
InChIInChI=1S/C21H23N3O5S/c1-14-4-5-15(2)19(12-14)28-11-10-21(25)22-17-6-8-18(9-7-17)30(26,27)24-20-13-16(3)29-23-20/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLCAHKYKHQSZEOO-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.81
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 2431427) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID2431427
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1
InChIInChI=1S/C21H23N3O5S/c1-14-4-5-15(2)19(12-14)28-11-10-21(25)22-17-6-8-18(9-7-17)30(26,27)24-20-13-16(3)29-23-20/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLCAHKYKHQSZEOO-UHFFFAOYSA-N
XLogP3.81
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]pentanamide
CID 54784030
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
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CID 4802672
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CID 17339082
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CID 19578382
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CID 2072642
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CID 1406358
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2-(2,5-dimethylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
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3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 2431427) is 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is LCAHKYKHQSZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-4-5-15(2)19(12-14)28-11-10-21(25)22-17-6-8-18(9-7-17)30(26,27)24-20-13-16(3)29-23-20/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 2431427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).