[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C20H23N3O7S2 — CID 55356749

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H23N3O7S2/c1-3-23(4-2)32(28,29)15-9-7-14(8-10-15)19(26)21-12-18(25)30-13-17(24)22-20(27)16-6-5-11-31-16/h5-11H,3-4,12-13H2,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyACXRRTNOYJVJBL-UHFFFAOYSA-N
MW481.55 g/mol
LogP1.01
Rot. Bonds10

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 55356749) has the molecular formula C20H23N3O7S2 and a molecular weight of 481.55 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID55356749
Molecular FormulaC20H23N3O7S2
Molecular Weight481.55 g/mol
Exact Mass481.10
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H23N3O7S2/c1-3-23(4-2)32(28,29)15-9-7-14(8-10-15)19(26)21-12-18(25)30-13-17(24)22-20(27)16-6-5-11-31-16/h5-11H,3-4,12-13H2,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyACXRRTNOYJVJBL-UHFFFAOYSA-N
XLogP1.01
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 98409881
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 55356749) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)c2cccs2)cc1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is ACXRRTNOYJVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S2/c1-3-23(4-2)32(28,29)15-9-7-14(8-10-15)19(26)21-12-18(25)30-13-17(24)22-20(27)16-6-5-11-31-16/h5-11H,3-4,12-13H2,1-2H3,(H,21,26)(H,22,24,27).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 481.55 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 55356749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).