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

C17H15N3O4S — CID 4127715

IUPACN-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4S/c1-11(21)18-12-6-8-13(9-7-12)19-16(22)10-25-17(19)14-4-2-3-5-15(14)20(23)24/h2-9,17H,10H2,1H3,(H,18,21)
InChIKeyXCSFBJJZVBCSFR-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.33
Rot. Bonds4

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

N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 4127715) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID4127715
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4S/c1-11(21)18-12-6-8-13(9-7-12)19-16(22)10-25-17(19)14-4-2-3-5-15(14)20(23)24/h2-9,17H,10H2,1H3,(H,18,21)
InChIKeyXCSFBJJZVBCSFR-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 4127715) is N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is XCSFBJJZVBCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11(21)18-12-6-8-13(9-7-12)19-16(22)10-25-17(19)14-4-2-3-5-15(14)20(23)24/h2-9,17H,10H2,1H3,(H,18,21).
What are the key properties of N-[4-[2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[4-[2-(2-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-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 4127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).