4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

C23H25N3O3S — CID 8533935

IUPAC4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-4-13-29-20-11-7-18(8-12-20)23(28)24-14-22(27)26-19-9-5-17(6-10-19)21-15-30-16(2)25-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyKRYYTWMIFMIDMR-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.67
Rot. Bonds9

About 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 8533935) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
PubChem CID8533935
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-4-13-29-20-11-7-18(8-12-20)23(28)24-14-22(27)26-19-9-5-17(6-10-19)21-15-30-16(2)25-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyKRYYTWMIFMIDMR-UHFFFAOYSA-N
XLogP4.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
CID 27701568
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (CID 8533935) is 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is KRYYTWMIFMIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-4-13-29-20-11-7-18(8-12-20)23(28)24-14-22(27)26-19-9-5-17(6-10-19)21-15-30-16(2)25-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 8533935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).