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

C16H19ClN2O2S — CID 155518985

IUPAC4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(C)CCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-10(15(20)19-16-18-9-12(3)22-16)6-7-21-13-4-5-14(17)11(2)8-13/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyMCZZANQGBJFBKM-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.46
Rot. Bonds6

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

4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155518985) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155518985
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(C)CCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-10(15(20)19-16-18-9-12(3)22-16)6-7-21-13-4-5-14(17)11(2)8-13/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyMCZZANQGBJFBKM-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155551296
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155556288
4-(3,4-dichlorophenoxy)-2-methylbutanoic acid
CID 82091070
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155518985) is 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)C(C)CCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MCZZANQGBJFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-10(15(20)19-16-18-9-12(3)22-16)6-7-21-13-4-5-14(17)11(2)8-13/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 338.86 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155518985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).