ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate

C16H19NO5S2 — CID 100551731

IUPACethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO5S2/c1-3-21-14-8-5-7-13(11-14)17(12-15(18)22-4-2)24(19,20)16-9-6-10-23-16/h5-11H,3-4,12H2,1-2H3
InChIKeyVIQAMHKJZJEJPV-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.91
Rot. Bonds8

About ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate

ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100551731) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100551731
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC Nameethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO5S2/c1-3-21-14-8-5-7-13(11-14)17(12-15(18)22-4-2)24(19,20)16-9-6-10-23-16/h5-11H,3-4,12H2,1-2H3
InChIKeyVIQAMHKJZJEJPV-UHFFFAOYSA-N
XLogP2.91
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate
CID 19434054
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551805
2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate (CID 100551731) is ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is VIQAMHKJZJEJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-3-21-14-8-5-7-13(11-14)17(12-15(18)22-4-2)24(19,20)16-9-6-10-23-16/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 369.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100551731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).