2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide

C20H29N3O2S — CID 5101442

IUPAC2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCCCC/N=C1\SC(CC(=O)Nc2cccc(C)c2)C(=O)N1CCCC
InChIInChI=1S/C20H29N3O2S/c1-4-6-11-21-20-23(12-7-5-2)19(25)17(26-20)14-18(24)22-16-10-8-9-15(3)13-16/h8-10,13,17H,4-7,11-12,14H2,1-3H3,(H,22,24)/b21-20-
InChIKeyFMRKITCNFPTLFO-MRCUWXFGSA-N
MW375.54 g/mol
LogP4.22
Rot. Bonds9

About 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide

2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide (PubChem CID 5101442) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
PubChem CID5101442
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCCCC/N=C1\SC(CC(=O)Nc2cccc(C)c2)C(=O)N1CCCC
InChIInChI=1S/C20H29N3O2S/c1-4-6-11-21-20-23(12-7-5-2)19(25)17(26-20)14-18(24)22-16-10-8-9-15(3)13-16/h8-10,13,17H,4-7,11-12,14H2,1-3H3,(H,22,24)/b21-20-
InChIKeyFMRKITCNFPTLFO-MRCUWXFGSA-N
XLogP4.22
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,3-dichlorophenyl)acetamide
CID 4216157
2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide
CID 5108400
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
methyl 2-[[2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 4222776
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
2-[(5S)-2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 1238888
N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 42990807
2-[(5S)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973963
2-[(5R)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973966
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 25408145
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide (CID 5101442) is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide is CCCC/N=C1\SC(CC(=O)Nc2cccc(C)c2)C(=O)N1CCCC.
What is the InChIKey of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is FMRKITCNFPTLFO-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-4-6-11-21-20-23(12-7-5-2)19(25)17(26-20)14-18(24)22-16-10-8-9-15(3)13-16/h8-10,13,17H,4-7,11-12,14H2,1-3H3,(H,22,24)/b21-20-.
What are the key properties of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 375.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 5101442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).