[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

C20H23N3O6S — CID 3344348

IUPAC[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-12-11-20(26)29-14-19(25)21-13-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyFOCMGLONSNCWQD-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.17
Rot. Bonds10

About [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 3344348) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID3344348
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-12-11-20(26)29-14-19(25)21-13-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyFOCMGLONSNCWQD-UHFFFAOYSA-N
XLogP1.17
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
[2-(4-Methylanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 16340175
Ethyl 4-[(benzylamino)sulfonyl]phenylcarbamate
CID 571682
N-(4-(((2-Phenylethyl)amino)sulfonyl)phenyl)ethanamide
CID 669172
[4-(3-Phenyl-acryloylamino)-benzenesulfonylamino]-acetic acid
CID 13893031
N-[4-(benzylsulfamoyl)phenyl]acetamide
CID 668311
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 3344348) is [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is FOCMGLONSNCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-12-11-20(26)29-14-19(25)21-13-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
[2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 433.49 g/mol, XLogP of 1.17, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3344348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).