(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide

C30H49N3O3S — CID 46231969

IUPAC(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CSC(c2ccc(NC(C)=O)cc2)N1
InChIInChI=1S/C30H49N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33(25(3)35)30(36)28-23-37-29(32-28)26-18-20-27(21-19-26)31-24(2)34/h18-21,28-29,32H,4-17,22-23H2,1-3H3,(H,31,34)/t28-,29?/m0/s1
InChIKeyGMIQYTGXYWHVED-XLTVJXRZSA-N
MW531.81 g/mol
LogP7.20
Rot. Bonds18

About (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide

(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide (PubChem CID 46231969) has the molecular formula C30H49N3O3S and a molecular weight of 531.81 g/mol. Its IUPAC name is (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
PubChem CID46231969
Molecular FormulaC30H49N3O3S
Molecular Weight531.81 g/mol
Exact Mass531.35
IUPAC Name(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CSC(c2ccc(NC(C)=O)cc2)N1
InChIInChI=1S/C30H49N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33(25(3)35)30(36)28-23-37-29(32-28)26-18-20-27(21-19-26)31-24(2)34/h18-21,28-29,32H,4-17,22-23H2,1-3H3,(H,31,34)/t28-,29?/m0/s1
InChIKeyGMIQYTGXYWHVED-XLTVJXRZSA-N
XLogP7.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.81
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
(4R)-2-[4-[(2-chloroacetyl)amino]phenyl]-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46232043
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
N-acetyl-N-decylacetamide
CID 57029087
(4R)-2-(2-acetamidophenyl)-N-octadec-8-enyl-1,3-thiazolidine-4-carboxamide
CID 69173674
(2R,4R)-2-(3-pentylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11087152
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-nonanoylphenyl)acetamide
CID 65449309
4-[octyl(pentyl)amino]-N-[4-[[4-[4-[octyl(pentyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139955611
N-[3-(dimethylamino)-3-oxopropyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 162660625
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-(4-cyclopropylphenyl)heptanamide
CID 155735657

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide (CID 46231969) is (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CSC(c2ccc(NC(C)=O)cc2)N1.
What is the InChIKey of (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is GMIQYTGXYWHVED-XLTVJXRZSA-N. The full InChI is InChI=1S/C30H49N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33(25(3)35)30(36)28-23-37-29(32-28)26-18-20-27(21-19-26)31-24(2)34/h18-21,28-29,32H,4-17,22-23H2,1-3H3,(H,31,34)/t28-,29?/m0/s1.
What are the key properties of (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide?
(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 531.81 g/mol, XLogP of 7.20, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46231969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).