2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

C16H20N4O5S — CID 7090735

IUPAC2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCC/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CC
InChIInChI=1S/C16H20N4O5S/c1-4-17-16-19(5-2)15(22)13(26-16)9-14(21)18-11-7-6-10(25-3)8-12(11)20(23)24/h6-8,13H,4-5,9H2,1-3H3,(H,18,21)/b17-16+/t13-/m1/s1
InChIKeyCCGZTVRJMUHQJS-PHODEOQFSA-N
MW380.43 g/mol
LogP2.27
Rot. Bonds7

About 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 7090735) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID7090735
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCC/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CC
InChIInChI=1S/C16H20N4O5S/c1-4-17-16-19(5-2)15(22)13(26-16)9-14(21)18-11-7-6-10(25-3)8-12(11)20(23)24/h6-8,13H,4-5,9H2,1-3H3,(H,18,21)/b17-16+/t13-/m1/s1
InChIKeyCCGZTVRJMUHQJS-PHODEOQFSA-N
XLogP2.27
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 41070774
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010
2-[2-(3-chloro-4-fluorophenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5006304
N-(4-methoxy-2-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860462
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 7318576
2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-pentan-3-yl-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 98387100
2-[2-(1,3-benzodioxol-5-ylimino)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3426662
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5037401
N-(2-chlorophenyl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3147896
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-phenoxyphenyl)acetamide
CID 4846078
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 1383546

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 7090735) is 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is CC/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(=O)N1CC.
What is the InChIKey of 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is CCGZTVRJMUHQJS-PHODEOQFSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-4-17-16-19(5-2)15(22)13(26-16)9-14(21)18-11-7-6-10(25-3)8-12(11)20(23)24/h6-8,13H,4-5,9H2,1-3H3,(H,18,21)/b17-16+/t13-/m1/s1.
What are the key properties of 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 7090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).