[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C19H22N2O6S2 — CID 2355400

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1
InChIInChI=1S/C19H22N2O6S2/c22-17(20-13-15-4-2-1-3-5-15)14-27-18(23)12-16-6-7-19(28-16)29(24,25)21-8-10-26-11-9-21/h1-7H,8-14H2,(H,20,22)
InChIKeyXTIIXJRQNUXGLO-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.17
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 2355400) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID2355400
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1
InChIInChI=1S/C19H22N2O6S2/c22-17(20-13-15-4-2-1-3-5-15)14-27-18(23)12-16-6-7-19(28-16)29(24,25)21-8-10-26-11-9-21/h1-7H,8-14H2,(H,20,22)
InChIKeyXTIIXJRQNUXGLO-UHFFFAOYSA-N
XLogP1.17
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435701
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090
N-(3,3-diphenylpropyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 5037436
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980169
(2-Anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 3466438
[2-(Benzylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2436426
[2-[Benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2642021
Ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2813582
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24979626
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980999
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 24982549
N-(cyclohexylmethyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2117005

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 2355400) is [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is XTIIXJRQNUXGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c22-17(20-13-15-4-2-1-3-5-15)14-27-18(23)12-16-6-7-19(28-16)29(24,25)21-8-10-26-11-9-21/h1-7H,8-14H2,(H,20,22).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 438.53 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 2355400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).