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

C33H48N2O3S — CID 57238770

IUPAC4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1CN1CSC=C1C
InChIInChI=1S/C33H48N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-38-32-23-29(37-3)20-21-30(32)33(36)34-31-19-16-15-18-28(31)24-35-26-39-25-27(35)2/h15-16,18-21,23,25H,4-14,17,22,24,26H2,1-3H3,(H,34,36)
InChIKeyYVKATAFCCTWNJY-UHFFFAOYSA-N
MW552.83 g/mol
LogP9.40
Rot. Bonds19

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

4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide (PubChem CID 57238770) has the molecular formula C33H48N2O3S and a molecular weight of 552.83 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
PubChem CID57238770
Molecular FormulaC33H48N2O3S
Molecular Weight552.83 g/mol
Exact Mass552.34
IUPAC Name4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1CN1CSC=C1C
InChIInChI=1S/C33H48N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-38-32-23-29(37-3)20-21-30(32)33(36)34-31-19-16-15-18-28(31)24-35-26-39-25-27(35)2/h15-16,18-21,23,25H,4-14,17,22,24,26H2,1-3H3,(H,34,36)
InChIKeyYVKATAFCCTWNJY-UHFFFAOYSA-N
XLogP9.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.83
LogP ≤ 59.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173343728
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide
CID 173343183
2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57291304
3-acetyl-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 57045555
2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343630
3-tert-butyl-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57324758
2-(3-acetyl-4-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343040
2-(3-chloro-4-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57081441
2-(4-chloro-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57017045
2-(2-hexadecoxy-4-methoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342423
2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57247666
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173342376

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide (CID 57238770) is 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide is CCCCCCCCCCCCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1CN1CSC=C1C.
What is the InChIKey of 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The InChIKey is YVKATAFCCTWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-38-32-23-29(37-3)20-21-30(32)33(36)34-31-19-16-15-18-28(31)24-35-26-39-25-27(35)2/h15-16,18-21,23,25H,4-14,17,22,24,26H2,1-3H3,(H,34,36).
What are the key properties of 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide has a molecular weight of 552.83 g/mol, XLogP of 9.40, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide is sourced from PubChem (CID 57238770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).