N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide

C24H19N3O3S — CID 30275534

IUPACN-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H19N3O3S/c28-22(26-20-13-7-8-14-21(20)30-19-11-5-2-6-12-19)15-18-16-31-24(25-18)27-23(29)17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,28)(H,25,27,29)
InChIKeyYBSMLMJMUDVCFF-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.37
Rot. Bonds7

About N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 30275534) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID30275534
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H19N3O3S/c28-22(26-20-13-7-8-14-21(20)30-19-11-5-2-6-12-19)15-18-16-31-24(25-18)27-23(29)17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,28)(H,25,27,29)
InChIKeyYBSMLMJMUDVCFF-UHFFFAOYSA-N
XLogP5.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 30275534) is N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is YBSMLMJMUDVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-22(26-20-13-7-8-14-21(20)30-19-11-5-2-6-12-19)15-18-16-31-24(25-18)27-23(29)17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,28)(H,25,27,29).
What are the key properties of N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30275534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).