N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide

C21H18N2O2S — CID 84552750

IUPACN-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)ccn1
InChIInChI=1S/C21H18N2O2S/c1-15-12-18(10-11-22-15)23-21(25)17-8-5-9-19(13-17)26-14-20(24)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,25)
InChIKeyLZTOPCMXVABUOQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.62
Rot. Bonds6

About N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide

N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide (PubChem CID 84552750) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
PubChem CID84552750
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)ccn1
InChIInChI=1S/C21H18N2O2S/c1-15-12-18(10-11-22-15)23-21(25)17-8-5-9-19(13-17)26-14-20(24)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,25)
InChIKeyLZTOPCMXVABUOQ-UHFFFAOYSA-N
XLogP4.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-[4-(2-methylpropoxy)phenyl]-3-phenacylsulfanylbenzamide
CID 84552635
N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
CID 84552506
N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84560928
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
3-methyl-2-[(3-phenacylsulfanylbenzoyl)amino]butanoic acid
CID 84557031
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide (CID 84552750) is N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide is Cc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide?
The InChIKey is LZTOPCMXVABUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-15-12-18(10-11-22-15)23-21(25)17-8-5-9-19(13-17)26-14-20(24)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,25).
What are the key properties of N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide?
N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).