ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate

C15H16ClNO4S2 — CID 100549552

IUPACethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16ClNO4S2/c1-3-21-14(18)10-17(13-7-6-12(16)9-11(13)2)23(19,20)15-5-4-8-22-15/h4-9H,3,10H2,1-2H3
InChIKeyXLKYBDHVFQEEOB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.47
Rot. Bonds6

About ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate

ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100549552) has the molecular formula C15H16ClNO4S2 and a molecular weight of 373.88 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100549552
Molecular FormulaC15H16ClNO4S2
Molecular Weight373.88 g/mol
Exact Mass373.02
IUPAC Nameethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16ClNO4S2/c1-3-21-14(18)10-17(13-7-6-12(16)9-11(13)2)23(19,20)15-5-4-8-22-15/h4-9H,3,10H2,1-2H3
InChIKeyXLKYBDHVFQEEOB-UHFFFAOYSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30265197
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate (CID 100549552) is ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is XLKYBDHVFQEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S2/c1-3-21-14(18)10-17(13-7-6-12(16)9-11(13)2)23(19,20)15-5-4-8-22-15/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 373.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100549552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).