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

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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).