N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide

C24H20ClN3OS — CID 3366110

IUPACN-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(Cl)c4)n3)c2)cc1
InChIInChI=1S/C24H20ClN3OS/c1-2-16-9-11-17(12-10-16)23(29)26-20-7-3-5-18(13-20)22-15-30-24(28-22)27-21-8-4-6-19(25)14-21/h3-15H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyMWJRDSUUZQPVFM-UHFFFAOYSA-N
MW433.96 g/mol
LogP7.02
Rot. Bonds6

About N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide

N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide (PubChem CID 3366110) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
PubChem CID3366110
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC NameN-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(Cl)c4)n3)c2)cc1
InChIInChI=1S/C24H20ClN3OS/c1-2-16-9-11-17(12-10-16)23(29)26-20-7-3-5-18(13-20)22-15-30-24(28-22)27-21-8-4-6-19(25)14-21/h3-15H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyMWJRDSUUZQPVFM-UHFFFAOYSA-N
XLogP7.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-[5-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 1255045
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide (CID 3366110) is N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(Cl)c4)n3)c2)cc1.
What is the InChIKey of N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide?
The InChIKey is MWJRDSUUZQPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-2-16-9-11-17(12-10-16)23(29)26-20-7-3-5-18(13-20)22-15-30-24(28-22)27-21-8-4-6-19(25)14-21/h3-15H,2H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide?
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide has a molecular weight of 433.96 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 3366110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).