2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide

C19H16ClN3OS — CID 11164561

IUPAC2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
SMILESNc1cc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C19H16ClN3OS/c20-14-5-7-15(8-6-14)23-19(24)16-3-1-2-4-17(16)25-12-13-9-10-22-18(21)11-13/h1-11H,12H2,(H2,21,22)(H,23,24)
InChIKeyXLXXSPUHVPMQCB-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.86
Rot. Bonds5

About 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide (PubChem CID 11164561) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
PubChem CID11164561
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
SMILESNc1cc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C19H16ClN3OS/c20-14-5-7-15(8-6-14)23-19(24)16-3-1-2-4-17(16)25-12-13-9-10-22-18(21)11-13/h1-11H,12H2,(H2,21,22)(H,23,24)
InChIKeyXLXXSPUHVPMQCB-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
CID 11428473
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 68841427
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 23151116
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92675622
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 23151002
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide (CID 11164561) is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide is Nc1cc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide?
The InChIKey is XLXXSPUHVPMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-14-5-7-15(8-6-14)23-19(24)16-3-1-2-4-17(16)25-12-13-9-10-22-18(21)11-13/h1-11H,12H2,(H2,21,22)(H,23,24).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide?
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide has a molecular weight of 369.88 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 11164561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).