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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Related Compounds

methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
4-(dimethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6502660
4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6502656
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
methyl 2-[3-(dimethylsulfamoyl)propanoylamino]benzoate
CID 110343407
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061609
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657

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).