[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate

C15H18BrClN2O5S — CID 16519788

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCC1
InChIInChI=1S/C15H18BrClN2O5S/c16-10-5-6-13(12(17)7-10)25(22,23)18-8-15(21)24-9-14(20)19-11-3-1-2-4-11/h5-7,11,18H,1-4,8-9H2,(H,19,20)
InChIKeyJJPYXKHLJWXJAQ-UHFFFAOYSA-N
MW453.74 g/mol
LogP1.98
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate (PubChem CID 16519788) has the molecular formula C15H18BrClN2O5S and a molecular weight of 453.74 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
PubChem CID16519788
Molecular FormulaC15H18BrClN2O5S
Molecular Weight453.74 g/mol
Exact Mass451.98
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCC1
InChIInChI=1S/C15H18BrClN2O5S/c16-10-5-6-13(12(17)7-10)25(22,23)18-8-15(21)24-9-14(20)19-11-3-1-2-4-11/h5-7,11,18H,1-4,8-9H2,(H,19,20)
InChIKeyJJPYXKHLJWXJAQ-UHFFFAOYSA-N
XLogP1.98
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate (CID 16519788) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
The InChIKey is JJPYXKHLJWXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O5S/c16-10-5-6-13(12(17)7-10)25(22,23)18-8-15(21)24-9-14(20)19-11-3-1-2-4-11/h5-7,11,18H,1-4,8-9H2,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate has a molecular weight of 453.74 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 16519788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).