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

C26H43N3O2S — CID 69172367

IUPAC(4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2NC(C)=O)N1
InChIInChI=1S/C26H43N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-27-25(31)24-20-32-26(29-24)22-17-14-15-18-23(22)28-21(2)30/h14-15,17-18,24,26,29H,3-13,16,19-20H2,1-2H3,(H,27,31)(H,28,30)/t24-,26?/m0/s1
InChIKeyOWKWJTIDLCJLRN-QSAPEBAKSA-N
MW461.72 g/mol
LogP6.17
Rot. Bonds16

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

(4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide (PubChem CID 69172367) has the molecular formula C26H43N3O2S and a molecular weight of 461.72 g/mol. Its IUPAC name is (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
PubChem CID69172367
Molecular FormulaC26H43N3O2S
Molecular Weight461.72 g/mol
Exact Mass461.31
IUPAC Name(4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2NC(C)=O)N1
InChIInChI=1S/C26H43N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-27-25(31)24-20-32-26(29-24)22-17-14-15-18-23(22)28-21(2)30/h14-15,17-18,24,26,29H,3-13,16,19-20H2,1-2H3,(H,27,31)(H,28,30)/t24-,26?/m0/s1
InChIKeyOWKWJTIDLCJLRN-QSAPEBAKSA-N
XLogP6.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.72
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-(2-acetamidophenyl)-N-octadec-8-enyl-1,3-thiazolidine-4-carboxamide
CID 69173674
(4R)-2-[4-[(2-chloroacetyl)amino]phenyl]-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46232043
(4R)-2-benzyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 44586638
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881673
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(4R)-2-[4-[2-(octadecylamino)ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279068
(2R,4R)-2-(3-pentylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11087152
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
CID 14925503
N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459721

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide (CID 69172367) is (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2NC(C)=O)N1.
What is the InChIKey of (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is OWKWJTIDLCJLRN-QSAPEBAKSA-N. The full InChI is InChI=1S/C26H43N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-27-25(31)24-20-32-26(29-24)22-17-14-15-18-23(22)28-21(2)30/h14-15,17-18,24,26,29H,3-13,16,19-20H2,1-2H3,(H,27,31)(H,28,30)/t24-,26?/m0/s1.
What are the key properties of (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
(4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 461.72 g/mol, XLogP of 6.17, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-acetamidophenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 69172367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).