N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide

C22H25N3O2S — CID 7318828

IUPACN-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2S/c1-2-23-20(26)16-19-21(27)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,26)/b24-22-/t19-/m1/s1
InChIKeyNNHNDOVQNCYCIH-MAVBTGMRSA-N
MW395.53 g/mol
LogP3.78
Rot. Bonds8

About N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide

N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7318828) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID7318828
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2S/c1-2-23-20(26)16-19-21(27)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,26)/b24-22-/t19-/m1/s1
InChIKeyNNHNDOVQNCYCIH-MAVBTGMRSA-N
XLogP3.78
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 28748359
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943
N-(3-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3978504
4-[[2-[(5R)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 29011034
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 41242533
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
4-[[2-[3-(4-hydroxybutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3581859
2-[(5R)-3-(3-ethoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715685
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 5108578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide (CID 7318828) is N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O.
What is the InChIKey of N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NNHNDOVQNCYCIH-MAVBTGMRSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-23-20(26)16-19-21(27)25(15-9-12-17-10-5-3-6-11-17)22(28-19)24-18-13-7-4-8-14-18/h3-8,10-11,13-14,19H,2,9,12,15-16H2,1H3,(H,23,26)/b24-22-/t19-/m1/s1.
What are the key properties of N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7318828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).