N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C20H20N2O3S — CID 9489205

IUPACN-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)c1
InChIInChI=1S/C20H20N2O3S/c1-15-3-2-4-19(11-15)24-10-9-21-20(23)16-5-7-18(8-6-16)25-12-17-13-26-14-22-17/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,23)
InChIKeyXKSQMUXZGBRPMT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.84
Rot. Bonds8

About N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 9489205) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID9489205
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)c1
InChIInChI=1S/C20H20N2O3S/c1-15-3-2-4-19(11-15)24-10-9-21-20(23)16-5-7-18(8-6-16)25-12-17-13-26-14-22-17/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,23)
InChIKeyXKSQMUXZGBRPMT-UHFFFAOYSA-N
XLogP3.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 9489205) is N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1cccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is XKSQMUXZGBRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-3-2-4-19(11-15)24-10-9-21-20(23)16-5-7-18(8-6-16)25-12-17-13-26-14-22-17/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 9489205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).