methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate

C14H14N2O5S2 — CID 6503946

IUPACmethyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)cs1
InChIInChI=1S/C14H14N2O5S2/c1-15-13(17)12-7-9(8-22-12)23(19,20)16-11-6-4-3-5-10(11)14(18)21-2/h3-8,16H,1-2H3,(H,15,17)
InChIKeyVBNZMLRPRKMBSB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate

methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate (PubChem CID 6503946) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
PubChem CID6503946
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Namemethyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)cs1
InChIInChI=1S/C14H14N2O5S2/c1-15-13(17)12-7-9(8-22-12)23(19,20)16-11-6-4-3-5-10(11)14(18)21-2/h3-8,16H,1-2H3,(H,15,17)
InChIKeyVBNZMLRPRKMBSB-UHFFFAOYSA-N
XLogP1.70
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
CID 27261800
4-[(2,4-dimethoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503913
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503928
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
4,5-dimethoxy-2-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307958
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate (CID 6503946) is methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate is CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)cs1.
What is the InChIKey of methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate?
The InChIKey is VBNZMLRPRKMBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-15-13(17)12-7-9(8-22-12)23(19,20)16-11-6-4-3-5-10(11)14(18)21-2/h3-8,16H,1-2H3,(H,15,17).
What are the key properties of methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate?
methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate is sourced from PubChem (CID 6503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).