4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C23H26N2O3S — CID 7119210

IUPAC4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N2O3S/c1-3-4-15-28-21-11-5-17(6-12-21)22(26)24-14-13-19-16-29-23(25-19)18-7-9-20(27-2)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyBCNYRQJCBULHRY-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.97
Rot. Bonds10

About 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7119210) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7119210
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N2O3S/c1-3-4-15-28-21-11-5-17(6-12-21)22(26)24-14-13-19-16-29-23(25-19)18-7-9-20(27-2)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyBCNYRQJCBULHRY-UHFFFAOYSA-N
XLogP4.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.97
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

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
2-Methyl-2-{4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)carbamoyl]phenoxy}propanoic acid
CID 16109199
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-methoxybenzamide
CID 979778

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7119210) is 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is BCNYRQJCBULHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-4-15-28-21-11-5-17(6-12-21)22(26)24-14-13-19-16-29-23(25-19)18-7-9-20(27-2)10-8-18/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).