N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C20H18N4O3S — CID 46442581

IUPACN-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O3S/c21-17(25)11-22-19(27)14-7-4-8-15(9-14)23-18(26)10-16-12-28-20(24-16)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyGTNSEKZTQHVMDC-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.21
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 46442581) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
PubChem CID46442581
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O3S/c21-17(25)11-22-19(27)14-7-4-8-15(9-14)23-18(26)10-16-12-28-20(24-16)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyGTNSEKZTQHVMDC-UHFFFAOYSA-N
XLogP2.21
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide
CID 62799063
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 46442581) is N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is NC(=O)CNC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The InChIKey is GTNSEKZTQHVMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c21-17(25)11-22-19(27)14-7-4-8-15(9-14)23-18(26)10-16-12-28-20(24-16)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H2,21,25)(H,22,27)(H,23,26).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 394.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 46442581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).