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

C16H19ClN2O2S — CID 155556288

IUPAC4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(N(C)C(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-9-13(6-7-14(11)17)21-8-4-5-15(20)19(3)16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJHPQZXQCDSBGSL-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.24
Rot. Bonds6

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

4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155556288) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155556288
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(N(C)C(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-9-13(6-7-14(11)17)21-8-4-5-15(20)19(3)16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJHPQZXQCDSBGSL-UHFFFAOYSA-N
XLogP4.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-chloro-3-methylphenoxy)butanoyl-methylamino]propanoic acid
CID 119362528
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155551296
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825763
4-(4-chloro-3-methylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442076
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 40715057
4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155518985
3-[2-(4-chloro-3-methylphenoxy)ethyl-methylamino]propanoic acid
CID 82224188
4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877048
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155556288) is 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(N(C)C(=O)CCCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is JHPQZXQCDSBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-11-9-13(6-7-14(11)17)21-8-4-5-15(20)19(3)16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 338.86 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155556288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).