2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide

C32H46N2O2S — CID 173343056

IUPAC2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
SMILESCCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3C=CSC3)cc2)cc1
InChIInChI=1S/C32H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-36-31-20-16-28(17-21-31)25-32(35)33-30-18-14-29(15-19-30)26-34-22-24-37-27-34/h14-22,24H,2-13,23,25-27H2,1H3,(H,33,35)
InChIKeyUWLSFUKCBGMDQY-UHFFFAOYSA-N
MW522.80 g/mol
LogP8.93
Rot. Bonds19

About 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide

2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (PubChem CID 173343056) has the molecular formula C32H46N2O2S and a molecular weight of 522.80 g/mol. Its IUPAC name is 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
PubChem CID173343056
Molecular FormulaC32H46N2O2S
Molecular Weight522.80 g/mol
Exact Mass522.33
IUPAC Name2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
SMILESCCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3C=CSC3)cc2)cc1
InChIInChI=1S/C32H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-36-31-20-16-28(17-21-31)25-32(35)33-30-18-14-29(15-19-30)26-34-22-24-37-27-34/h14-22,24H,2-13,23,25-27H2,1H3,(H,33,35)
InChIKeyUWLSFUKCBGMDQY-UHFFFAOYSA-N
XLogP8.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173343195
2-(2-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173342287
2-(3-chloro-2-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57057372
2-(3-acetyl-2-hexadecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57167913
2-(4-tert-butyl-2-hexadecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173342451
2-(3-tert-butyl-2-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173342318
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57086684
1-(3-acetyl-2-tetradecoxyphenyl)-3-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 57053445
1-(3-acetyl-2-tetradecoxyphenyl)-3-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea;hydrobromide
CID 173342925
1-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea
CID 173342854
N-[4-(2,3-dimethyl-1,2-dihydroimidazol-1-ium-1-yl)phenyl]-2-(4-tetradecoxyphenyl)acetamide iodide
CID 67787067

Frequently Asked Questions

What is the IUPAC name of 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (CID 173343056) is 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3C=CSC3)cc2)cc1.
What is the InChIKey of 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The InChIKey is UWLSFUKCBGMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-36-31-20-16-28(17-21-31)25-32(35)33-30-18-14-29(15-19-30)26-34-22-24-37-27-34/h14-22,24H,2-13,23,25-27H2,1H3,(H,33,35).
What are the key properties of 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide has a molecular weight of 522.80 g/mol, XLogP of 8.93, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 173343056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).