ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate

C20H23N3O5S — CID 10002033

IUPACethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C20H23N3O5S/c1-5-27-20(24)14(4)21-17-10-6-9-16-15(17)8-7-11-18(16)29(25,26)23-19-12(2)13(3)22-28-19/h6-11,14,21,23H,5H2,1-4H3
InChIKeySYHPKSOBMUGCEF-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.61
Rot. Bonds7

About ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate

ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate (PubChem CID 10002033) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate
PubChem CID10002033
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Nameethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C20H23N3O5S/c1-5-27-20(24)14(4)21-17-10-6-9-16-15(17)8-7-11-18(16)29(25,26)23-19-12(2)13(3)22-28-19/h6-11,14,21,23H,5H2,1-4H3
InChIKeySYHPKSOBMUGCEF-UHFFFAOYSA-N
XLogP3.61
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate (CID 10002033) is ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate is CCOC(=O)C(C)Nc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12.
What is the InChIKey of ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate?
The InChIKey is SYHPKSOBMUGCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-5-27-20(24)14(4)21-17-10-6-9-16-15(17)8-7-11-18(16)29(25,26)23-19-12(2)13(3)22-28-19/h6-11,14,21,23H,5H2,1-4H3.
What are the key properties of ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate?
ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate has a molecular weight of 417.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]amino]propanoate is sourced from PubChem (CID 10002033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).