ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate

C15H23NO4S — CID 62007157

IUPACethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
SMILESCCCS(=O)(=O)c1ccccc1N(C)CCC(=O)OCC
InChIInChI=1S/C15H23NO4S/c1-4-12-21(18,19)14-9-7-6-8-13(14)16(3)11-10-15(17)20-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNJNNLUPEJICZSI-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.26
Rot. Bonds8

About ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate

ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate (PubChem CID 62007157) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
PubChem CID62007157
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nameethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
SMILESCCCS(=O)(=O)c1ccccc1N(C)CCC(=O)OCC
InChIInChI=1S/C15H23NO4S/c1-4-12-21(18,19)14-9-7-6-8-13(14)16(3)11-10-15(17)20-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNJNNLUPEJICZSI-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
CID 62007156
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
methyl 3-(N-ethyl-2-ethylsulfonylanilino)propanoate
CID 62004581
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
CID 66336754

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate?
The IUPAC name of ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate (CID 62007157) is ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate.
What is the SMILES notation for ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate?
The canonical SMILES for ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate is CCCS(=O)(=O)c1ccccc1N(C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate?
The InChIKey is NJNNLUPEJICZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-12-21(18,19)14-9-7-6-8-13(14)16(3)11-10-15(17)20-5-2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate?
ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate has a molecular weight of 313.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate is sourced from PubChem (CID 62007157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).