3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide

C32H45FN2O2S — CID 57034803

IUPAC3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2cccc(CN3CSC=C3C)c2)cc1F
InChIInChI=1S/C32H45FN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-37-31-19-18-28(22-30(31)33)32(36)34-29-17-15-16-27(21-29)23-35-25-38-24-26(35)2/h15-19,21-22,24H,3-14,20,23,25H2,1-2H3,(H,34,36)
InChIKeyWDUQFWGALUVOPW-UHFFFAOYSA-N
MW540.79 g/mol
LogP9.53
Rot. Bonds18

About 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide

3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide (PubChem CID 57034803) has the molecular formula C32H45FN2O2S and a molecular weight of 540.79 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
PubChem CID57034803
Molecular FormulaC32H45FN2O2S
Molecular Weight540.79 g/mol
Exact Mass540.32
IUPAC Name3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2cccc(CN3CSC=C3C)c2)cc1F
InChIInChI=1S/C32H45FN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-37-31-19-18-28(22-30(31)33)32(36)34-29-17-15-16-27(21-29)23-35-25-38-24-26(35)2/h15-19,21-22,24H,3-14,20,23,25H2,1-2H3,(H,34,36)
InChIKeyWDUQFWGALUVOPW-UHFFFAOYSA-N
XLogP9.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 59.53
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

N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173342376
3-fluoro-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342608
3-methoxy-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57152450
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenyl)acetamide
CID 173343128
2-(3-fluoro-2-tetradecoxyphenoxy)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342644
2-(3-tert-butyl-4-decoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343512
2-(4-chloro-2-tetradecoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57122127
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
CID 173343348
N-(3-methoxy-2-tetradecoxyphenyl)-3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide
CID 57190330
N-(3-fluoro-4-tetradecoxyphenyl)-3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide
CID 57259402
2-(3-acetyl-2-tetradecoxyphenoxy)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343112
3-tert-butyl-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57324758

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide?
The IUPAC name of 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide (CID 57034803) is 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide?
The canonical SMILES for 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide is CCCCCCCCCCCCCCOc1ccc(C(=O)Nc2cccc(CN3CSC=C3C)c2)cc1F.
What is the InChIKey of 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide?
The InChIKey is WDUQFWGALUVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-37-31-19-18-28(22-30(31)33)32(36)34-29-17-15-16-27(21-29)23-35-25-38-24-26(35)2/h15-19,21-22,24H,3-14,20,23,25H2,1-2H3,(H,34,36).
What are the key properties of 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide?
3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide has a molecular weight of 540.79 g/mol, XLogP of 9.53, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide is sourced from PubChem (CID 57034803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).