methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

C20H18N2O5S2 — CID 91886918

IUPACmethyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H18N2O5S2/c1-12-3-5-13(6-4-12)16-11-28-17(20(24)27-2)18(16)29(25,26)22-15-9-7-14(8-10-15)19(21)23/h3-11,22H,1-2H3,(H2,21,23)
InChIKeyDPKKVELJYQBZIZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.41
Rot. Bonds6

About methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 91886918) has the molecular formula C20H18N2O5S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID91886918
Molecular FormulaC20H18N2O5S2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC Namemethyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H18N2O5S2/c1-12-3-5-13(6-4-12)16-11-28-17(20(24)27-2)18(16)29(25,26)22-15-9-7-14(8-10-15)19(21)23/h3-11,22H,1-2H3,(H2,21,23)
InChIKeyDPKKVELJYQBZIZ-UHFFFAOYSA-N
XLogP3.41
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-ethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832133
methyl 4-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832177
methyl 3-[(3-ethoxycarbonylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956736
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832170
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
methyl 3-[[4-(dimethylamino)phenyl]sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 20944550
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (CID 91886918) is methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is DPKKVELJYQBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S2/c1-12-3-5-13(6-4-12)16-11-28-17(20(24)27-2)18(16)29(25,26)22-15-9-7-14(8-10-15)19(21)23/h3-11,22H,1-2H3,(H2,21,23).
What are the key properties of methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-carbamoylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 91886918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).