methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

C11H14BrNO6S2 — CID 79923482

IUPACmethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H14BrNO6S2/c1-7-4-10(20-11(7)12)21(16,17)13(5-8(14)18-2)6-9(15)19-3/h4H,5-6H2,1-3H3
InChIKeyNPTVCSDSWNILOK-UHFFFAOYSA-N
MW400.27 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 79923482) has the molecular formula C11H14BrNO6S2 and a molecular weight of 400.27 g/mol. Its IUPAC name is methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID79923482
Molecular FormulaC11H14BrNO6S2
Molecular Weight400.27 g/mol
Exact Mass398.94
IUPAC Namemethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H14BrNO6S2/c1-7-4-10(20-11(7)12)21(16,17)13(5-8(14)18-2)6-9(15)19-3/h4H,5-6H2,1-3H3
InChIKeyNPTVCSDSWNILOK-UHFFFAOYSA-N
XLogP1.16
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60951024
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 3101202
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307
ethyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 80578582
5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
CID 71975650
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 79987712
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
CID 79999013

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 79923482) is methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is NPTVCSDSWNILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO6S2/c1-7-4-10(20-11(7)12)21(16,17)13(5-8(14)18-2)6-9(15)19-3/h4H,5-6H2,1-3H3.
What are the key properties of methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 400.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 79923482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).