methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate

C17H19ClN2O5S2 — CID 55812102

IUPACmethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C(=O)OC)c1
InChIInChI=1S/C17H19ClN2O5S2/c1-4-20(5-2)27(23,24)11-6-7-14(18)13(10-11)15(21)19-16-12(8-9-26-16)17(22)25-3/h6-10H,4-5H2,1-3H3,(H,19,21)
InChIKeyUWXHUIDBYIZIKT-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.47
Rot. Bonds7

About methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate

methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate (PubChem CID 55812102) has the molecular formula C17H19ClN2O5S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
PubChem CID55812102
Molecular FormulaC17H19ClN2O5S2
Molecular Weight430.94 g/mol
Exact Mass430.04
IUPAC Namemethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C(=O)OC)c1
InChIInChI=1S/C17H19ClN2O5S2/c1-4-20(5-2)27(23,24)11-6-7-14(18)13(10-11)15(21)19-16-12(8-9-26-16)17(22)25-3/h6-10H,4-5H2,1-3H3,(H,19,21)
InChIKeyUWXHUIDBYIZIKT-UHFFFAOYSA-N
XLogP3.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
methyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]thiophene-3-carboxylate
CID 55811912
2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
CID 2425482
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46603309
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate (CID 55812102) is methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate?
The InChIKey is UWXHUIDBYIZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S2/c1-4-20(5-2)27(23,24)11-6-7-14(18)13(10-11)15(21)19-16-12(8-9-26-16)17(22)25-3/h6-10H,4-5H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate has a molecular weight of 430.94 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55812102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).