2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide

C21H19N3O3S — CID 1490637

IUPAC2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Sc2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-14(25)23-20-12-11-17(13-22-20)28-19-6-4-3-5-18(19)21(26)24-15-7-9-16(27-2)10-8-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJKINMFTZKPYPNE-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.45
Rot. Bonds6

About 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide

2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 1490637) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide
PubChem CID1490637
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Sc2ccc(NC(C)=O)nc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-14(25)23-20-12-11-17(13-22-20)28-19-6-4-3-5-18(19)21(26)24-15-7-9-16(27-2)10-8-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJKINMFTZKPYPNE-UHFFFAOYSA-N
XLogP4.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 787499
N-benzyl-2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 1124076
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
2-(4-methoxybenzamido)-N-(pyridin-2-yl)benzamide
CID 759561
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11167126
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11307354
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11341113
2-[[2-(methylcarbamoylamino)pyridin-4-yl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11408935

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide (CID 1490637) is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2Sc2ccc(NC(C)=O)nc2)cc1.
What is the InChIKey of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is JKINMFTZKPYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14(25)23-20-12-11-17(13-22-20)28-19-6-4-3-5-18(19)21(26)24-15-7-9-16(27-2)10-8-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide?
2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1490637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).