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

C16H19ClN2O2S — CID 86825763

IUPAC4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-8-13(5-6-15(11)17)21-7-3-4-16(20)19-10-14-9-18-12(2)22-14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyYMHOJBCRABLAHT-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.89
Rot. Bonds7

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

4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 86825763) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID86825763
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-8-13(5-6-15(11)17)21-7-3-4-16(20)19-10-14-9-18-12(2)22-14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyYMHOJBCRABLAHT-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.89
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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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 43003033
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 86825763) is 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is Cc1ncc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is YMHOJBCRABLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-11-8-13(5-6-15(11)17)21-7-3-4-16(20)19-10-14-9-18-12(2)22-14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 338.86 g/mol, XLogP of 3.89, 7 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)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 86825763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).