[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C26H24N4O6S — CID 26918184

IUPAC[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C26H24N4O6S/c1-18(19-9-3-2-4-10-19)29-26(33)21-12-6-7-13-22(21)30-24(31)17-36-25(32)16-28-37(34,35)23-14-8-5-11-20(23)15-27/h2-14,18,28H,16-17H2,1H3,(H,29,33)(H,30,31)/t18-/m0/s1
InChIKeyKTTRVAKBVMKEAN-SFHVURJKSA-N
MW520.57 g/mol
LogP2.51
Rot. Bonds10

About [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 26918184) has the molecular formula C26H24N4O6S and a molecular weight of 520.57 g/mol. Its IUPAC name is [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID26918184
Molecular FormulaC26H24N4O6S
Molecular Weight520.57 g/mol
Exact Mass520.14
IUPAC Name[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C26H24N4O6S/c1-18(19-9-3-2-4-10-19)29-26(33)21-12-6-7-13-22(21)30-24(31)17-36-25(32)16-28-37(34,35)23-14-8-5-11-20(23)15-27/h2-14,18,28H,16-17H2,1H3,(H,29,33)(H,30,31)/t18-/m0/s1
InChIKeyKTTRVAKBVMKEAN-SFHVURJKSA-N
XLogP2.51
TPSA154.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653227
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653278
2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410013
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 2571060
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
[2-(2-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7266075
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55306100
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653231
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] thiophene-2-carboxylate
CID 42900841

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 26918184) is [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is KTTRVAKBVMKEAN-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N4O6S/c1-18(19-9-3-2-4-10-19)29-26(33)21-12-6-7-13-22(21)30-24(31)17-36-25(32)16-28-37(34,35)23-14-8-5-11-20(23)15-27/h2-14,18,28H,16-17H2,1H3,(H,29,33)(H,30,31)/t18-/m0/s1.
What are the key properties of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 520.57 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 26918184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).