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

C33H48N2O4S — CID 57315785

IUPAC2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
SMILESCCCCCCCCCCCCCCOc1cc(OCC(=O)Nc2cccc(CN3C=CSC3)c2)ccc1OC
InChIInChI=1S/C33H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-38-32-24-30(18-19-31(32)37-2)39-26-33(36)34-29-17-15-16-28(23-29)25-35-20-22-40-27-35/h15-20,22-24H,3-14,21,25-27H2,1-2H3,(H,34,36)
InChIKeyMTBVXZSFJXKDST-UHFFFAOYSA-N
MW568.82 g/mol
LogP8.77
Rot. Bonds21

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

2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (PubChem CID 57315785) has the molecular formula C33H48N2O4S and a molecular weight of 568.82 g/mol. Its IUPAC name is 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
PubChem CID57315785
Molecular FormulaC33H48N2O4S
Molecular Weight568.82 g/mol
Exact Mass568.33
IUPAC Name2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
SMILESCCCCCCCCCCCCCCOc1cc(OCC(=O)Nc2cccc(CN3C=CSC3)c2)ccc1OC
InChIInChI=1S/C33H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-38-32-24-30(18-19-31(32)37-2)39-26-33(36)34-29-17-15-16-28(23-29)25-35-20-22-40-27-35/h15-20,22-24H,3-14,21,25-27H2,1-2H3,(H,34,36)
InChIKeyMTBVXZSFJXKDST-UHFFFAOYSA-N
XLogP8.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.82
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57244962
2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173342567
2-(4-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173343195
1-(2-chloro-4-tetradecoxyphenyl)-3-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea;hydrobromide
CID 173342549
2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57086684
N-(3-tetradecoxyphenyl)-3-(2H-1,3-thiazol-3-ylmethyl)benzamide;hydrobromide
CID 173343268
1-[(4-methoxy-3-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 56996986
1-(4-methoxy-3-tetradecoxyphenyl)-3-[2-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 57093431
2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
CID 173342922
N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57013116
1-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]urea
CID 57015535
2-(4-tetradecoxyphenyl)-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 173343056

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide (CID 57315785) is 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is CCCCCCCCCCCCCCOc1cc(OCC(=O)Nc2cccc(CN3C=CSC3)c2)ccc1OC.
What is the InChIKey of 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
The InChIKey is MTBVXZSFJXKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-38-32-24-30(18-19-31(32)37-2)39-26-33(36)34-29-17-15-16-28(23-29)25-35-20-22-40-27-35/h15-20,22-24H,3-14,21,25-27H2,1-2H3,(H,34,36).
What are the key properties of 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide?
2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide has a molecular weight of 568.82 g/mol, XLogP of 8.77, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 57315785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).