[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

C28H26N4O4S — CID 166201420

IUPAC[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C28H26N4O4S/c1-19(21-11-8-12-22(15-21)30-27(35)20-9-4-3-5-10-20)32(2)25(33)17-36-26(34)16-23-18-37-28(31-23)24-13-6-7-14-29-24/h3-15,18-19H,16-17H2,1-2H3,(H,30,35)
InChIKeySZNUZVGLJNDJBB-UHFFFAOYSA-N
MW514.61 g/mol
LogP4.76
Rot. Bonds9

About [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 166201420) has the molecular formula C28H26N4O4S and a molecular weight of 514.61 g/mol. Its IUPAC name is [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID166201420
Molecular FormulaC28H26N4O4S
Molecular Weight514.61 g/mol
Exact Mass514.17
IUPAC Name[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C28H26N4O4S/c1-19(21-11-8-12-22(15-21)30-27(35)20-9-4-3-5-10-20)32(2)25(33)17-36-26(34)16-23-18-37-28(31-23)24-13-6-7-14-29-24/h3-15,18-19H,16-17H2,1-2H3,(H,30,35)
InChIKeySZNUZVGLJNDJBB-UHFFFAOYSA-N
XLogP4.76
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 43015443
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55423156
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955
methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
CID 34215372
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 166201420) is [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is SZNUZVGLJNDJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4S/c1-19(21-11-8-12-22(15-21)30-27(35)20-9-4-3-5-10-20)32(2)25(33)17-36-26(34)16-23-18-37-28(31-23)24-13-6-7-14-29-24/h3-15,18-19H,16-17H2,1-2H3,(H,30,35).
What are the key properties of [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 514.61 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 166201420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).