4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H17ClN2O2S — CID 155542993

IUPAC4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-6-12(8-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyIROJKPZFQDWVFJ-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.21
Rot. Bonds6

About 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155542993) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155542993
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-6-12(8-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyIROJKPZFQDWVFJ-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155542993) is 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is IROJKPZFQDWVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-5-6-12(8-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 324.83 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155542993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).