methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

C15H17NO6S2 — CID 8842360

IUPACmethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C15H17NO6S2/c1-9-7-13(23-14(9)15(17)22-4)16-24(18,19)10-5-6-11(20-2)12(8-10)21-3/h5-8,16H,1-4H3
InChIKeyVXLVKAUOJDFLSP-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.66
Rot. Bonds6

About methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (PubChem CID 8842360) has the molecular formula C15H17NO6S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
PubChem CID8842360
Molecular FormulaC15H17NO6S2
Molecular Weight371.44 g/mol
Exact Mass371.05
IUPAC Namemethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C15H17NO6S2/c1-9-7-13(23-14(9)15(17)22-4)16-24(18,19)10-5-6-11(20-2)12(8-10)21-3/h5-8,16H,1-4H3
InChIKeyVXLVKAUOJDFLSP-UHFFFAOYSA-N
XLogP2.66
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate 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

methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842336
methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 8842307
ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515211
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 8842276
methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 122135831
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (CID 8842360) is methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is VXLVKAUOJDFLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S2/c1-9-7-13(23-14(9)15(17)22-4)16-24(18,19)10-5-6-11(20-2)12(8-10)21-3/h5-8,16H,1-4H3.
What are the key properties of methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 8842360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).