N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide

C23H16ClFN2OS2 — CID 123801250

IUPACN-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccs3)c2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H16ClFN2OS2/c1-29-17-7-8-18(19(13-17)14-2-4-15(25)5-3-14)22(28)27-16-6-9-21(24)20(12-16)23-26-10-11-30-23/h2-13H,1H3,(H,27,28)
InChIKeyOUIONTNYPRHNLU-UHFFFAOYSA-N
MW454.98 g/mol
LogP7.24
Rot. Bonds5

About N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide

N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide (PubChem CID 123801250) has the molecular formula C23H16ClFN2OS2 and a molecular weight of 454.98 g/mol. Its IUPAC name is N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide
PubChem CID123801250
Molecular FormulaC23H16ClFN2OS2
Molecular Weight454.98 g/mol
Exact Mass454.04
IUPAC NameN-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccs3)c2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H16ClFN2OS2/c1-29-17-7-8-18(19(13-17)14-2-4-15(25)5-3-14)22(28)27-16-6-9-21(24)20(12-16)23-26-10-11-30-23/h2-13H,1H3,(H,27,28)
InChIKeyOUIONTNYPRHNLU-UHFFFAOYSA-N
XLogP7.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-N-[4-chloro-3-(1H-indol-2-yl)phenyl]-4-methylsulfanylbenzamide
CID 123794906
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
CID 123710564
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-2-(3-methoxyphenyl)-4-methylsulfanylbenzamide
CID 123655059
2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588
N-[4-chloro-3-(1H-indol-2-yl)phenyl]-4-methylsulfanyl-2-[3-(trifluoromethyl)phenyl]benzamide
CID 123401907
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 123388410
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide (CID 123801250) is N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccs3)c2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide?
The InChIKey is OUIONTNYPRHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2OS2/c1-29-17-7-8-18(19(13-17)14-2-4-15(25)5-3-14)22(28)27-16-6-9-21(24)20(12-16)23-26-10-11-30-23/h2-13H,1H3,(H,27,28).
What are the key properties of N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide?
N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide has a molecular weight of 454.98 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 123801250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).