N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide

C17H21ClN4O3S — CID 27860722

IUPACN-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCSC2=O)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN4O3S/c18-13-3-1-2-4-14(13)19-15(23)11-20-5-7-21(8-6-20)16(24)12-22-9-10-26-17(22)25/h1-4H,5-12H2,(H,19,23)
InChIKeyZMYKGPXTZNSSBP-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.59
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 27860722) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID27860722
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCSC2=O)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN4O3S/c18-13-3-1-2-4-14(13)19-15(23)11-20-5-7-21(8-6-20)16(24)12-22-9-10-26-17(22)25/h1-4H,5-12H2,(H,19,23)
InChIKeyZMYKGPXTZNSSBP-UHFFFAOYSA-N
XLogP1.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25490702
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 46485457
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide (CID 27860722) is N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CN2CCSC2=O)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ZMYKGPXTZNSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c18-13-3-1-2-4-14(13)19-15(23)11-20-5-7-21(8-6-20)16(24)12-22-9-10-26-17(22)25/h1-4H,5-12H2,(H,19,23).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27860722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).