N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

C21H22N2OS — CID 59432567

IUPACN-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C21H22N2OS/c1-4-15(3)23-20(24)18-11-17(16-7-5-14(2)6-8-16)12-19(13-18)21-22-9-10-25-21/h5-13,15H,4H2,1-3H3,(H,23,24)
InChIKeyUCVARKUGUAIURB-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.31
Rot. Bonds5

About N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432567) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432567
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C21H22N2OS/c1-4-15(3)23-20(24)18-11-17(16-7-5-14(2)6-8-16)12-19(13-18)21-22-9-10-25-21/h5-13,15H,4H2,1-3H3,(H,23,24)
InChIKeyUCVARKUGUAIURB-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 59432567) is N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is CCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1.
What is the InChIKey of N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UCVARKUGUAIURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-15(3)23-20(24)18-11-17(16-7-5-14(2)6-8-16)12-19(13-18)21-22-9-10-25-21/h5-13,15H,4H2,1-3H3,(H,23,24).
What are the key properties of N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).