ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate

C17H20N2O5S2 — CID 6503175

IUPACethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-4-19(3)26(22,23)14-10-15(25-11-14)16(20)18-13-8-6-12(7-9-13)17(21)24-5-2/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyBGPFNADYMHHORB-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.82
Rot. Bonds7

About ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate

ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate (PubChem CID 6503175) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate
PubChem CID6503175
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Nameethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-4-19(3)26(22,23)14-10-15(25-11-14)16(20)18-13-8-6-12(7-9-13)17(21)24-5-2/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyBGPFNADYMHHORB-UHFFFAOYSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218
4-[ethyl(methyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503155
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 6503161
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate (CID 6503175) is ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)CC)cs2)cc1.
What is the InChIKey of ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The InChIKey is BGPFNADYMHHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-4-19(3)26(22,23)14-10-15(25-11-14)16(20)18-13-8-6-12(7-9-13)17(21)24-5-2/h6-11H,4-5H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate?
ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate has a molecular weight of 396.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 6503175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).