N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C20H20N2O2S — CID 9457132

IUPACN-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@H](CNC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-15(16-5-3-2-4-6-16)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-14-22-18/h2-10,13-15H,11-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyQIPHUGNZMNTRQK-HNNXBMFYSA-N
MW352.46 g/mol
LogP4.26
Rot. Bonds7

About N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 9457132) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID9457132
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@H](CNC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-15(16-5-3-2-4-6-16)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-14-22-18/h2-10,13-15H,11-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyQIPHUGNZMNTRQK-HNNXBMFYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 9457132) is N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is C[C@@H](CNC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is QIPHUGNZMNTRQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15(16-5-3-2-4-6-16)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-14-22-18/h2-10,13-15H,11-12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 352.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenylpropyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 9457132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).