3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C21H22N2O2S — CID 108727275

IUPAC3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(OCC(C)C)c3)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-14(2)12-25-19-6-4-5-17(11-19)21(24)23-18-9-7-16(8-10-18)20-13-26-15(3)22-20/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyBVIDOBMEFDXBPL-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.41
Rot. Bonds6

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

3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108727275) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108727275
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(OCC(C)C)c3)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-14(2)12-25-19-6-4-5-17(11-19)21(24)23-18-9-7-16(8-10-18)20-13-26-15(3)22-20/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyBVIDOBMEFDXBPL-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108727275) is 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3cccc(OCC(C)C)c3)cc2)cs1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is BVIDOBMEFDXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14(2)12-25-19-6-4-5-17(11-19)21(24)23-18-9-7-16(8-10-18)20-13-26-15(3)22-20/h4-11,13-14H,12H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108727275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).