(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate

C13H12N2O5S2 — CID 2620159

IUPAC(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESNC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H12N2O5S2/c14-11(16)8-20-13(17)9-4-1-2-5-10(9)15-22(18,19)12-6-3-7-21-12/h1-7,15H,8H2,(H2,14,16)
InChIKeyHAAUKVTWNKYPCA-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.19
Rot. Bonds6

About (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate

(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2620159) has the molecular formula C13H12N2O5S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2620159
Molecular FormulaC13H12N2O5S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESNC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H12N2O5S2/c14-11(16)8-20-13(17)9-4-1-2-5-10(9)15-22(18,19)12-6-3-7-21-12/h1-7,15H,8H2,(H2,14,16)
InChIKeyHAAUKVTWNKYPCA-UHFFFAOYSA-N
XLogP1.19
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2385509
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 24530687
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539393
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30591354

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate (CID 2620159) is (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate is NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is HAAUKVTWNKYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S2/c14-11(16)8-20-13(17)9-4-1-2-5-10(9)15-22(18,19)12-6-3-7-21-12/h1-7,15H,8H2,(H2,14,16).
What are the key properties of (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 340.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2620159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).