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

C15H17NO4S2 — CID 100547151

IUPACethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-3-20-14(17)11-16(13-8-6-12(2)7-9-13)22(18,19)15-5-4-10-21-15/h4-10H,3,11H2,1-2H3
InChIKeyRMQWRSMUZNWQBX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.81
Rot. Bonds6

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

ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100547151) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100547151
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Nameethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-3-20-14(17)11-16(13-8-6-12(2)7-9-13)22(18,19)15-5-4-10-21-15/h4-10H,3,11H2,1-2H3
InChIKeyRMQWRSMUZNWQBX-UHFFFAOYSA-N
XLogP2.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.81
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-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate (CID 100547151) is ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate is CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is RMQWRSMUZNWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-3-20-14(17)11-16(13-8-6-12(2)7-9-13)22(18,19)15-5-4-10-21-15/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate?
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 339.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100547151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).