[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

C15H20ClN3O6S — CID 7738856

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O6S/c1-10(2)18-15(22)19-13(20)9-25-14(21)7-8-17-26(23,24)12-5-3-11(16)4-6-12/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20,22)
InChIKeyZJWDJBQNCOEWOR-UHFFFAOYSA-N
MW405.86 g/mol
LogP0.79
Rot. Bonds8

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 7738856) has the molecular formula C15H20ClN3O6S and a molecular weight of 405.86 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID7738856
Molecular FormulaC15H20ClN3O6S
Molecular Weight405.86 g/mol
Exact Mass405.08
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O6S/c1-10(2)18-15(22)19-13(20)9-25-14(21)7-8-17-26(23,24)12-5-3-11(16)4-6-12/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20,22)
InChIKeyZJWDJBQNCOEWOR-UHFFFAOYSA-N
XLogP0.79
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574941
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 40855373
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870395
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841930
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 7738856) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is CC(C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is ZJWDJBQNCOEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O6S/c1-10(2)18-15(22)19-13(20)9-25-14(21)7-8-17-26(23,24)12-5-3-11(16)4-6-12/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 405.86 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7738856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).