[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

C17H18N2O6S2 — CID 8508465

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OCC(=O)NC(=O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O6S2/c1-12-6-3-4-7-13(12)19(27(2,23)24)10-16(21)25-11-15(20)18-17(22)14-8-5-9-26-14/h3-9H,10-11H2,1-2H3,(H,18,20,22)
InChIKeyPHIQJWLQZRNRTQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.32
Rot. Bonds7

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 8508465) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID8508465
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCc1ccccc1N(CC(=O)OCC(=O)NC(=O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O6S2/c1-12-6-3-4-7-13(12)19(27(2,23)24)10-16(21)25-11-15(20)18-17(22)14-8-5-9-26-14/h3-9H,10-11H2,1-2H3,(H,18,20,22)
InChIKeyPHIQJWLQZRNRTQ-UHFFFAOYSA-N
XLogP1.32
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508416
[2-(4-chloroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508439
[2-(3-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508389
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508262
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508449
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 34802118
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55356370
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 46522932
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55400580
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
methyl 2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645594

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 8508465) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is Cc1ccccc1N(CC(=O)OCC(=O)NC(=O)c1cccs1)S(C)(=O)=O.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is PHIQJWLQZRNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c1-12-6-3-4-7-13(12)19(27(2,23)24)10-16(21)25-11-15(20)18-17(22)14-8-5-9-26-14/h3-9H,10-11H2,1-2H3,(H,18,20,22).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 410.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 8508465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).