2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

C18H23ClN4O5S — CID 55846108

IUPAC2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O5S/c19-14-3-1-2-4-15(14)29(27,28)20-8-7-16(24)22-9-11-23(12-10-22)18(26)17(25)21-13-5-6-13/h1-4,13,20H,5-12H2,(H,21,25)
InChIKeyVHYWOKNXRGIKNB-UHFFFAOYSA-N
MW442.93 g/mol
LogP-0.04
Rot. Bonds6

About 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 55846108) has the molecular formula C18H23ClN4O5S and a molecular weight of 442.93 g/mol. Its IUPAC name is 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID55846108
Molecular FormulaC18H23ClN4O5S
Molecular Weight442.93 g/mol
Exact Mass442.11
IUPAC Name2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O5S/c19-14-3-1-2-4-15(14)29(27,28)20-8-7-16(24)22-9-11-23(12-10-22)18(26)17(25)21-13-5-6-13/h1-4,13,20H,5-12H2,(H,21,25)
InChIKeyVHYWOKNXRGIKNB-UHFFFAOYSA-N
XLogP-0.04
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
N-butan-2-yl-2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 55884585
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55636719
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
3-[(2-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 113220281
N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
CID 55694111
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (CID 55846108) is 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is VHYWOKNXRGIKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O5S/c19-14-3-1-2-4-15(14)29(27,28)20-8-7-16(24)22-9-11-23(12-10-22)18(26)17(25)21-13-5-6-13/h1-4,13,20H,5-12H2,(H,21,25).
What are the key properties of 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 442.93 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 55846108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).