methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate

C14H15NO4S2 — CID 114916457

IUPACmethyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-10-8-20-13(14(16)19-2)12(10)15-21(17,18)9-11-6-4-3-5-7-11/h3-8,15H,9H2,1-2H3
InChIKeyHGXAIZZBWTWXTO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate

methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate (PubChem CID 114916457) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
PubChem CID114916457
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4S2/c1-10-8-20-13(14(16)19-2)12(10)15-21(17,18)9-11-6-4-3-5-7-11/h3-8,15H,9H2,1-2H3
InChIKeyHGXAIZZBWTWXTO-UHFFFAOYSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
CID 114916462
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
methyl 4-bromo-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
CID 176893694
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916103
methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
CID 114914504
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 43550604

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate (CID 114916457) is methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate?
The InChIKey is HGXAIZZBWTWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10-8-20-13(14(16)19-2)12(10)15-21(17,18)9-11-6-4-3-5-7-11/h3-8,15H,9H2,1-2H3.
What are the key properties of methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate?
methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114916457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).