2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide

C22H22N4O4S — CID 42990625

IUPAC2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H22N4O4S/c27-20(23-16-9-6-12-18(13-16)26(29)30)14-19-21(28)25(17-10-4-5-11-17)22(31-19)24-15-7-2-1-3-8-15/h1-3,6-9,12-13,17,19H,4-5,10-11,14H2,(H,23,27)/b24-22-
InChIKeyDSPOWYSLIYNMHE-GYHWCHFESA-N
MW438.51 g/mol
LogP4.50
Rot. Bonds6

About 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide

2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 42990625) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
PubChem CID42990625
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H22N4O4S/c27-20(23-16-9-6-12-18(13-16)26(29)30)14-19-21(28)25(17-10-4-5-11-17)22(31-19)24-15-7-2-1-3-8-15/h1-3,6-9,12-13,17,19H,4-5,10-11,14H2,(H,23,27)/b24-22-
InChIKeyDSPOWYSLIYNMHE-GYHWCHFESA-N
XLogP4.50
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 7974073
N-(3-nitrophenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2363185
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
N-(2-chloro-5-nitrophenyl)-2-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994132
2-[2-(4-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 11836294
2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 98163008
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
2-[(5S)-3-cyclopropyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715564
N-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide (CID 42990625) is 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide is O=C(CC1S/C(=N\c2ccccc2)N(C2CCCC2)C1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is DSPOWYSLIYNMHE-GYHWCHFESA-N. The full InChI is InChI=1S/C22H22N4O4S/c27-20(23-16-9-6-12-18(13-16)26(29)30)14-19-21(28)25(17-10-4-5-11-17)22(31-19)24-15-7-2-1-3-8-15/h1-3,6-9,12-13,17,19H,4-5,10-11,14H2,(H,23,27)/b24-22-.
What are the key properties of 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide?
2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 42990625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).