ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate

C15H23NO4S — CID 62006448

IUPACethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
SMILESCCCS(=O)(=O)c1ccc(N(CC)CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-11-21(18,19)14-9-7-13(8-10-14)16(5-2)12-15(17)20-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyUWLGJLXGBKTCQK-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.26
Rot. Bonds8

About ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate

ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate (PubChem CID 62006448) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
PubChem CID62006448
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
SMILESCCCS(=O)(=O)c1ccc(N(CC)CC(=O)OCC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-11-21(18,19)14-9-7-13(8-10-14)16(5-2)12-15(17)20-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyUWLGJLXGBKTCQK-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

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Related Compounds

ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
CID 62006834
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
CID 134176388
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
N-ethyl-N-(4-propylsulfonylphenyl)acetamide
CID 110172517
ethyl 2-[4-[2-[4-(6-hydroxyhexylsulfonyl)phenyl]ethenyl]-N-methylanilino]acetate
CID 54113536
ethyl 2-[4-[(E)-2-[4-(6-hydroxyhexylsulfonyl)phenyl]ethenyl]-N-methylanilino]acetate
CID 19020040
ethyl 2-(4-carbamothioyl-N-ethyl-3-methylanilino)acetate
CID 81276651
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
2-[4-(cyanomethylsulfonyl)-N-ethylanilino]acetic acid
CID 18972347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate (CID 62006448) is ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate is CCCS(=O)(=O)c1ccc(N(CC)CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate?
The InChIKey is UWLGJLXGBKTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-11-21(18,19)14-9-7-13(8-10-14)16(5-2)12-15(17)20-6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate?
ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate 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 2-(N-ethyl-4-propylsulfonylanilino)acetate is sourced from PubChem (CID 62006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).