N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

C23H25N3O2S — CID 9343938

IUPACN-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-4-16-5-9-18(10-6-16)24-21(27)13-22-26-20(14-29-22)17-7-11-19(12-8-17)25-23(28)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyNYIHMISCAIZFHN-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.15
Rot. Bonds7

About N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (PubChem CID 9343938) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
PubChem CID9343938
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-4-16-5-9-18(10-6-16)24-21(27)13-22-26-20(14-29-22)17-7-11-19(12-8-17)25-23(28)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyNYIHMISCAIZFHN-UHFFFAOYSA-N
XLogP5.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 810454
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (CID 9343938) is N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is CCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is NYIHMISCAIZFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-4-16-5-9-18(10-6-16)24-21(27)13-22-26-20(14-29-22)17-7-11-19(12-8-17)25-23(28)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 407.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 9343938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).