(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide

C26H44N2O3S — CID 23627596

IUPAC(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)c(OC)c2)N1
InChIInChI=1S/C26H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-25(29)22-20-32-26(28-22)21-16-17-23(30-2)24(19-21)31-3/h16-17,19,22,26,28H,4-15,18,20H2,1-3H3,(H,27,29)/t22-,26?/m0/s1
InChIKeyRJQKNZJFJWWDMV-CHQVSRGASA-N
MW464.72 g/mol
LogP6.22
Rot. Bonds17

About (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide

(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide (PubChem CID 23627596) has the molecular formula C26H44N2O3S and a molecular weight of 464.72 g/mol. Its IUPAC name is (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
PubChem CID23627596
Molecular FormulaC26H44N2O3S
Molecular Weight464.72 g/mol
Exact Mass464.31
IUPAC Name(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)c(OC)c2)N1
InChIInChI=1S/C26H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-25(29)22-20-32-26(28-22)21-16-17-23(30-2)24(19-21)31-3/h16-17,19,22,26,28H,4-15,18,20H2,1-3H3,(H,27,29)/t22-,26?/m0/s1
InChIKeyRJQKNZJFJWWDMV-CHQVSRGASA-N
XLogP6.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Docarpamine
CID 71137
2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2998642
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylbenzyl)sulfanyl]acetamide
CID 2812444
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 3114038
N-benzyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
CID 3102469
2-(4-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3158592
(R)-Thiazolidine-4-carboxylic acid [(R)-2-cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethyl]-amide
CID 9807599
[(R)-2-Cyclopentylmethylsulfanyl-1-(4-methoxy-benzylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
CID 10224083
(4R)-2-(3,4-dimethoxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 11284354
(4R)-N-octadecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 11319267

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide (CID 23627596) is (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)c(OC)c2)N1.
What is the InChIKey of (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is RJQKNZJFJWWDMV-CHQVSRGASA-N. The full InChI is InChI=1S/C26H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-25(29)22-20-32-26(28-22)21-16-17-23(30-2)24(19-21)31-3/h16-17,19,22,26,28H,4-15,18,20H2,1-3H3,(H,27,29)/t22-,26?/m0/s1.
What are the key properties of (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 464.72 g/mol, XLogP of 6.22, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23627596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).