methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate

C15H17NO6S2 — CID 100548774

IUPACmethyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO6S2/c1-20-12-7-6-11(9-13(12)21-2)16(10-14(17)22-3)24(18,19)15-5-4-8-23-15/h4-9H,10H2,1-3H3
InChIKeyHAWJVMNOFABLRY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.13
Rot. Bonds7

About methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate

methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100548774) has the molecular formula C15H17NO6S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100548774
Molecular FormulaC15H17NO6S2
Molecular Weight371.44 g/mol
Exact Mass371.05
IUPAC Namemethyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO6S2/c1-20-12-7-6-11(9-13(12)21-2)16(10-14(17)22-3)24(18,19)15-5-4-8-23-15/h4-9H,10H2,1-3H3
InChIKeyHAWJVMNOFABLRY-UHFFFAOYSA-N
XLogP2.13
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551629
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate (CID 100548774) is methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate is COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is HAWJVMNOFABLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S2/c1-20-12-7-6-11(9-13(12)21-2)16(10-14(17)22-3)24(18,19)15-5-4-8-23-15/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate?
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 371.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100548774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).