N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C22H24N2O3S — CID 124734628

IUPACN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@](CO)(CNC(=O)c1ccccc1OCc1cscn1)Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-22(15-25,11-17-7-3-2-4-8-17)14-23-21(26)19-9-5-6-10-20(19)27-12-18-13-28-16-24-18/h2-10,13,16,25H,11-12,14-15H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyMNGWPDHIYGJYOX-QFIPXVFZSA-N
MW396.51 g/mol
LogP3.69
Rot. Bonds9

About N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 124734628) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID124734628
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@](CO)(CNC(=O)c1ccccc1OCc1cscn1)Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-22(15-25,11-17-7-3-2-4-8-17)14-23-21(26)19-9-5-6-10-20(19)27-12-18-13-28-16-24-18/h2-10,13,16,25H,11-12,14-15H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyMNGWPDHIYGJYOX-QFIPXVFZSA-N
XLogP3.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 124854604
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 119048184
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111698025
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 124734628) is N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is C[C@@](CO)(CNC(=O)c1ccccc1OCc1cscn1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MNGWPDHIYGJYOX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-22(15-25,11-17-7-3-2-4-8-17)14-23-21(26)19-9-5-6-10-20(19)27-12-18-13-28-16-24-18/h2-10,13,16,25H,11-12,14-15H2,1H3,(H,23,26)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 124734628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).