methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate

C19H17NO4S2 — CID 100551629

IUPACmethyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17NO4S2/c1-24-18(21)14-20(26(22,23)19-12-7-13-25-19)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyRWIOEUMLVZEEKJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.78
Rot. Bonds6

About methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate

methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100551629) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100551629
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Namemethyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17NO4S2/c1-24-18(21)14-20(26(22,23)19-12-7-13-25-19)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyRWIOEUMLVZEEKJ-UHFFFAOYSA-N
XLogP3.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 47004366
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate (CID 100551629) is methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate is COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is RWIOEUMLVZEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-24-18(21)14-20(26(22,23)19-12-7-13-25-19)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate?
methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 387.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100551629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).