[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate

C20H22Cl2N2O5S — CID 16565738

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O5S/c1-13-6-4-5-7-15(13)11-24(3)19(25)12-29-20(26)14(2)23-30(27,28)16-8-9-17(21)18(22)10-16/h4-10,14,23H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyVIVLAUZJVIHYKH-AWEZNQCLSA-N
MW473.38 g/mol
LogP3.17
Rot. Bonds8

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 16565738) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
PubChem CID16565738
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O5S/c1-13-6-4-5-7-15(13)11-24(3)19(25)12-29-20(26)14(2)23-30(27,28)16-8-9-17(21)18(22)10-16/h4-10,14,23H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyVIVLAUZJVIHYKH-AWEZNQCLSA-N
XLogP3.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55936254
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565689
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533455
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 16521886
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323826
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 35419885
ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
CID 16565684
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate (CID 16565738) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate is Cc1ccccc1CN(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is VIVLAUZJVIHYKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-13-6-4-5-7-15(13)11-24(3)19(25)12-29-20(26)14(2)23-30(27,28)16-8-9-17(21)18(22)10-16/h4-10,14,23H,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 473.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 16565738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).