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

C17H15N3O4S — CID 2859282

IUPACN-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H15N3O4S/c1-11(21)18-13-4-8-14(9-5-13)19-16(22)10-25-17(19)12-2-6-15(7-3-12)20(23)24/h2-9,17H,10H2,1H3,(H,18,21)
InChIKeyKAPZDSSMJXUENZ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.33
Rot. Bonds4

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

N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 2859282) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID2859282
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H15N3O4S/c1-11(21)18-13-4-8-14(9-5-13)19-16(22)10-25-17(19)12-2-6-15(7-3-12)20(23)24/h2-9,17H,10H2,1H3,(H,18,21)
InChIKeyKAPZDSSMJXUENZ-UHFFFAOYSA-N
XLogP3.33
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.33
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-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
3-(4-Nitrophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 2844987
2-(4-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4023489
Propanamide, 2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (S)-
CID 2738123
2-(3-Nitrophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840479
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
N-{4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl}acetamide
CID 4127715
3-(3-Fluorophenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 4231304
3-(2-Fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4256051
3-(2-Fluorophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 5043536
N-[2-(4-Methyl-benzylsulfanyl)-ethyl]-2-(4-nitro-benzylsulfanyl)-acetamide
CID 2281832
N-(1-isopropyl-2-methylpropyl)-2-[(4-nitrobenzyl)thio]acetamide
CID 2282192

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 2859282) is N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is KAPZDSSMJXUENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11(21)18-13-4-8-14(9-5-13)19-16(22)10-25-17(19)12-2-6-15(7-3-12)20(23)24/h2-9,17H,10H2,1H3,(H,18,21).
What are the key properties of N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 2859282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).