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

C17H21ClN2O2S — CID 155551296

IUPAC4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(C)(C)CCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C17H21ClN2O2S/c1-11-9-13(5-6-14(11)18)22-8-7-17(3,4)15(21)20-16-19-10-12(2)23-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20,21)
InChIKeyHTBYEQKGAMSAGA-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.85
Rot. Bonds6

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

4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155551296) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155551296
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(C)(C)CCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C17H21ClN2O2S/c1-11-9-13(5-6-14(11)18)22-8-7-17(3,4)15(21)20-16-19-10-12(2)23-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20,21)
InChIKeyHTBYEQKGAMSAGA-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155518985
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
4-(4-chloro-3-methylphenoxy)-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155556288
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
2-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 104936646
4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420142
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535982
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155551296) is 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)C(C)(C)CCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is HTBYEQKGAMSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-11-9-13(5-6-14(11)18)22-8-7-17(3,4)15(21)20-16-19-10-12(2)23-16/h5-6,9-10H,7-8H2,1-4H3,(H,19,20,21).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 352.89 g/mol, XLogP of 4.85, 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)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155551296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).