N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

C24H25N3O4S — CID 71693392

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1
InChIInChI=1S/C24H25N3O4S/c1-15-5-3-4-6-19(15)24(30)26-18-9-7-17(8-10-18)23-20(12-28)27(22(29)13-31-23)11-21-16(2)25-14-32-21/h3-10,14,20,23,28H,11-13H2,1-2H3,(H,26,30)/t20-,23-/m1/s1
InChIKeyANSTWMYDMSPEDT-NFBKMPQASA-N
MW451.55 g/mol
LogP3.47
Rot. Bonds6

About N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 71693392) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
PubChem CID71693392
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1
InChIInChI=1S/C24H25N3O4S/c1-15-5-3-4-6-19(15)24(30)26-18-9-7-17(8-10-18)23-20(12-28)27(22(29)13-31-23)11-21-16(2)25-14-32-21/h3-10,14,20,23,28H,11-13H2,1-2H3,(H,26,30)/t20-,23-/m1/s1
InChIKeyANSTWMYDMSPEDT-NFBKMPQASA-N
XLogP3.47
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150430
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332
3-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150445
N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 78150443
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150375
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
CID 78150344
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]pyrazine-2-carboxamide
CID 78150731
2-chloro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71693465
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide (CID 71693392) is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3scnc3C)[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is ANSTWMYDMSPEDT-NFBKMPQASA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-15-5-3-4-6-19(15)24(30)26-18-9-7-17(8-10-18)23-20(12-28)27(22(29)13-31-23)11-21-16(2)25-14-32-21/h3-10,14,20,23,28H,11-13H2,1-2H3,(H,26,30)/t20-,23-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 451.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 71693392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).