N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

C24H27ClN2O2S — CID 93165132

About N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 93165132) has the molecular formula C24H27ClN2O2S and a molecular weight of 443.01 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
• PubChem CID: 93165132
• Molecular Formula: C24H27ClN2O2S
• Molecular Weight: 443.01 g/mol
• Exact Mass: 442.15
• IUPAC Name: N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
• SMILES: CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H27ClN2O2S/c1-5-18(4)27(24(28)19-6-8-20(25)9-7-19)13-21-15-30-23(26-21)14-29-22-11-16(2)10-17(3)12-22/h6-12,15,18H,5,13-14H2,1-4H3/t18-/m1/s1
• InChIKey: AMJONRJJZVEHBI-GOSISDBHSA-N
• XLogP: 6.43
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.01
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?

The IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 93165132) is N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(Cl)cc1.

What is the InChIKey of N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?

The InChIKey is AMJONRJJZVEHBI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27ClN2O2S/c1-5-18(4)27(24(28)19-6-8-20(25)9-7-19)13-21-15-30-23(26-21)14-29-22-11-16(2)10-17(3)12-22/h6-12,15,18H,5,13-14H2,1-4H3/t18-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?

N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 443.01 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 93165132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).