2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate

C16H18N2O5S2 — CID 10547935

IUPAC2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate
SMILESCN(C)CCOC(=O)c1ccc(C(=O)c2cc(S(N)(=O)=O)cs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-18(2)7-8-23-16(20)12-5-3-11(4-6-12)15(19)14-9-13(10-24-14)25(17,21)22/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyMAEFTMMWGDJTHG-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.34
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate

2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate (PubChem CID 10547935) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate
PubChem CID10547935
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate
SMILESCN(C)CCOC(=O)c1ccc(C(=O)c2cc(S(N)(=O)=O)cs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-18(2)7-8-23-16(20)12-5-3-11(4-6-12)15(19)14-9-13(10-24-14)25(17,21)22/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyMAEFTMMWGDJTHG-UHFFFAOYSA-N
XLogP1.34
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
CID 25061352
butyl 4-sulfamoylbenzoate
CID 23274639
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate
CID 6503175
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride
CID 21228916
2-(dimethylamino)ethyl 4-[2,2-dichloro-3-[4-[2-(dimethylamino)ethoxycarbonyl]phenyl]-1,3-difluorocyclopropyl]benzoate
CID 21204552

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate (CID 10547935) is 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate is CN(C)CCOC(=O)c1ccc(C(=O)c2cc(S(N)(=O)=O)cs2)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate?
The InChIKey is MAEFTMMWGDJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-18(2)7-8-23-16(20)12-5-3-11(4-6-12)15(19)14-9-13(10-24-14)25(17,21)22/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22).
What are the key properties of 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate?
2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate has a molecular weight of 382.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-(4-sulfamoylthiophene-2-carbonyl)benzoate is sourced from PubChem (CID 10547935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).