4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide

C24H18ClN3OS — CID 11690553

IUPAC4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
SMILESCSc1ncc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C24H18ClN3OS/c1-30-24-26-14-20(15-27-24)28-23(29)19-11-12-22(25)21(13-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,29)
InChIKeyFKFNQDLYRFLPJK-UHFFFAOYSA-N
MW431.95 g/mol
LogP6.44
Rot. Bonds5

About 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide

4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide (PubChem CID 11690553) has the molecular formula C24H18ClN3OS and a molecular weight of 431.95 g/mol. Its IUPAC name is 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
PubChem CID11690553
Molecular FormulaC24H18ClN3OS
Molecular Weight431.95 g/mol
Exact Mass431.09
IUPAC Name4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
SMILESCSc1ncc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cn1
InChIInChI=1S/C24H18ClN3OS/c1-30-24-26-14-20(15-27-24)28-23(29)19-11-12-22(25)21(13-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,29)
InChIKeyFKFNQDLYRFLPJK-UHFFFAOYSA-N
XLogP6.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.95
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
CID 91399310
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
CID 68551333
4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane
CID 143191284
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
CID 122301792
4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 11582018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide (CID 11690553) is 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide is CSc1ncc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cn1.
What is the InChIKey of 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide?
The InChIKey is FKFNQDLYRFLPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3OS/c1-30-24-26-14-20(15-27-24)28-23(29)19-11-12-22(25)21(13-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,29).
What are the key properties of 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide?
4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide has a molecular weight of 431.95 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide is sourced from PubChem (CID 11690553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).