2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C18H24N2O2S — CID 110436537

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)Cc2ccc(OC(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2S/c1-13-12-23-17(20-13)9-10-19-16(21)11-14-5-7-15(8-6-14)22-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21)
InChIKeyAQEMOBHBVSCJKZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110436537) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110436537
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)Cc2ccc(OC(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2S/c1-13-12-23-17(20-13)9-10-19-16(21)11-14-5-7-15(8-6-14)22-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21)
InChIKeyAQEMOBHBVSCJKZ-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
CID 110474057
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 110436537) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1csc(CCNC(=O)Cc2ccc(OC(C)(C)C)cc2)n1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is AQEMOBHBVSCJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-12-23-17(20-13)9-10-19-16(21)11-14-5-7-15(8-6-14)22-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110436537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).