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

C17H14ClN3O4S — CID 25023321

IUPAC2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NN1C(=O)CSC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14ClN3O4S/c18-13-6-4-11(5-7-13)8-15(22)19-20-16(23)10-26-17(20)12-2-1-3-14(9-12)21(24)25/h1-7,9,17H,8,10H2,(H,19,22)
InChIKeyFZCYDFZPBVJCET-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.10
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 25023321) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID25023321
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NN1C(=O)CSC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14ClN3O4S/c18-13-6-4-11(5-7-13)8-15(22)19-20-16(23)10-26-17(20)12-2-1-3-14(9-12)21(24)25/h1-7,9,17H,8,10H2,(H,19,22)
InChIKeyFZCYDFZPBVJCET-UHFFFAOYSA-N
XLogP3.10
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320
N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzo[e][1]benzofuran-1-carboxamide
CID 164617675
(2R)-2-(3-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6937476
3-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049590
N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932982
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11024209
1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
CID 14145607
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471
(2S,6R)-1-[(4-chlorophenyl)methyl]-2,6-bis(3-nitrophenyl)-4-oxopiperidine-3,5-dicarboxylic acid
CID 87616790
(2S)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 6968997
N-[2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
CID 53494524

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 25023321) is 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)NN1C(=O)CSC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is FZCYDFZPBVJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c18-13-6-4-11(5-7-13)8-15(22)19-20-16(23)10-26-17(20)12-2-1-3-14(9-12)21(24)25/h1-7,9,17H,8,10H2,(H,19,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 391.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 25023321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).