methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate

C20H20N2O4S2 — CID 20944550

IUPACmethyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(2)16-11-9-15(10-12-16)21-28(24,25)19-17(14-7-5-4-6-8-14)13-27-18(19)20(23)26-3/h4-13,21H,1-3H3
InChIKeyJVNNARZTSJGAPK-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.07
Rot. Bonds6

About methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate

methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate (PubChem CID 20944550) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
PubChem CID20944550
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Namemethyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(2)16-11-9-15(10-12-16)21-28(24,25)19-17(14-7-5-4-6-8-14)13-27-18(19)20(23)26-3/h4-13,21H,1-3H3
InChIKeyJVNNARZTSJGAPK-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-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 3-[(4-ethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832133
methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 91886918
methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832177
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832170
methyl 3-[(3-ethoxycarbonylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956736
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-hydroxy-4-phenylthiophene-2-carboxylate
CID 54696198
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 42584805
ethyl 3-[(4-ethoxyphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 50791867
N-[4-(dimethylamino)phenyl]-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002048
methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-phenylthiophene-2-carboxylate
CID 16813273
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate (CID 20944550) is methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate is COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate?
The InChIKey is JVNNARZTSJGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-22(2)16-11-9-15(10-12-16)21-28(24,25)19-17(14-7-5-4-6-8-14)13-27-18(19)20(23)26-3/h4-13,21H,1-3H3.
What are the key properties of methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate?
methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 20944550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).