methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate

C16H18N2O5S2 — CID 6502716

IUPACmethyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C16H18N2O5S2/c1-10-14(25(21,22)18(2)3)9-13(24-10)15(19)17-12-8-6-5-7-11(12)16(20)23-4/h5-9H,1-4H3,(H,17,19)
InChIKeyZMMCQYXRMNEZJU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.35
Rot. Bonds5

About methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate

methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate (PubChem CID 6502716) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate
PubChem CID6502716
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Namemethyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C16H18N2O5S2/c1-10-14(25(21,22)18(2)3)9-13(24-10)15(19)17-12-8-6-5-7-11(12)16(20)23-4/h5-9H,1-4H3,(H,17,19)
InChIKeyZMMCQYXRMNEZJU-UHFFFAOYSA-N
XLogP2.35
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate (CID 6502716) is methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1.
What is the InChIKey of methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate?
The InChIKey is ZMMCQYXRMNEZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-10-14(25(21,22)18(2)3)9-13(24-10)15(19)17-12-8-6-5-7-11(12)16(20)23-4/h5-9H,1-4H3,(H,17,19).
What are the key properties of methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate?
methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 6502716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).