4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

C25H23N3O2S — CID 3877402

IUPAC4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccccc4OC)n3)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-3-17-11-13-18(14-12-17)24(29)26-20-8-6-7-19(15-20)22-16-31-25(28-22)27-21-9-4-5-10-23(21)30-2/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyFCFYVJYAXOZDNM-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.38
Rot. Bonds7

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

4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3877402) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3877402
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccccc4OC)n3)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-3-17-11-13-18(14-12-17)24(29)26-20-8-6-7-19(15-20)22-16-31-25(28-22)27-21-9-4-5-10-23(21)30-2/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyFCFYVJYAXOZDNM-UHFFFAOYSA-N
XLogP6.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4000067
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3877402) is 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccccc4OC)n3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is FCFYVJYAXOZDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-3-17-11-13-18(14-12-17)24(29)26-20-8-6-7-19(15-20)22-16-31-25(28-22)27-21-9-4-5-10-23(21)30-2/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3877402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).