4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide

C22H24N2O2S — CID 52992878

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1csc(COc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)n1
InChIInChI=1S/C22H24N2O2S/c1-16(8-9-18-6-4-3-5-7-18)24-22(25)19-10-12-20(13-11-19)26-14-21-23-17(2)15-27-21/h3-7,10-13,15-16H,8-9,14H2,1-2H3,(H,24,25)
InChIKeyIFPQXDITGNMURC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.78
Rot. Bonds8

About 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide

4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 52992878) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID52992878
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1csc(COc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)n1
InChIInChI=1S/C22H24N2O2S/c1-16(8-9-18-6-4-3-5-7-18)24-22(25)19-10-12-20(13-11-19)26-14-21-23-17(2)15-27-21/h3-7,10-13,15-16H,8-9,14H2,1-2H3,(H,24,25)
InChIKeyIFPQXDITGNMURC-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide (CID 52992878) is 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide is Cc1csc(COc2ccc(C(=O)NC(C)CCc3ccccc3)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is IFPQXDITGNMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16(8-9-18-6-4-3-5-7-18)24-22(25)19-10-12-20(13-11-19)26-14-21-23-17(2)15-27-21/h3-7,10-13,15-16H,8-9,14H2,1-2H3,(H,24,25).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide?
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 52992878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).