(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide

C17H15N3O4S — CID 71889011

IUPAC(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H15N3O4S/c21-16(18-13-7-4-8-14(9-13)20(23)24)15-10-25-11-19(15)17(22)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,18,21)/t15-/m0/s1
InChIKeyXFYWKQQJMULFPC-HNNXBMFYSA-N
MW357.39 g/mol
LogP2.75
Rot. Bonds4

About (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 71889011) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID71889011
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H15N3O4S/c21-16(18-13-7-4-8-14(9-13)20(23)24)15-10-25-11-19(15)17(22)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,18,21)/t15-/m0/s1
InChIKeyXFYWKQQJMULFPC-HNNXBMFYSA-N
XLogP2.75
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 ≤ 52.75
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

3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
4-[(3-nitrophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902217
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55984093
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55940328

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide (CID 71889011) is (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XFYWKQQJMULFPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-16(18-13-7-4-8-14(9-13)20(23)24)15-10-25-11-19(15)17(22)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 71889011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).