4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide

C18H16N2O2S — CID 4956346

IUPAC4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c21-17(20-18-19-11-13-23-18)15-6-8-16(9-7-15)22-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,19,20,21)
InChIKeyPTUORFDNOWZRJB-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.02
Rot. Bonds6

About 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide

4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4956346) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4956346
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c21-17(20-18-19-11-13-23-18)15-6-8-16(9-7-15)22-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,19,20,21)
InChIKeyPTUORFDNOWZRJB-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 8814256
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 11544198
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 87646961

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 4956346) is 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PTUORFDNOWZRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17(20-18-19-11-13-23-18)15-6-8-16(9-7-15)22-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,19,20,21).
What are the key properties of 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide?
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4956346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).