ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate

C17H21NO4S2 — CID 100550650

IUPACethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21NO4S2/c1-5-22-15(19)11-18(24(20,21)16-7-6-8-23-16)17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3
InChIKeyFAXJAKZJLGXZHX-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.43
Rot. Bonds6

About ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate

ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100550650) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100550650
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC Nameethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21NO4S2/c1-5-22-15(19)11-18(24(20,21)16-7-6-8-23-16)17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3
InChIKeyFAXJAKZJLGXZHX-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
ethyl 2-(2,4,6-trimethyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100528396
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate (CID 100550650) is ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is FAXJAKZJLGXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-5-22-15(19)11-18(24(20,21)16-7-6-8-23-16)17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3.
What are the key properties of ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate?
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 367.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).