2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide

C21H21N3OS — CID 11428473

IUPAC2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1
InChIInChI=1S/C21H21N3OS/c1-14-9-15(2)11-17(10-14)24-21(25)18-5-3-4-6-19(18)26-13-16-7-8-23-20(22)12-16/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyIXLMILYKEURRJC-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.83
Rot. Bonds5

About 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide (PubChem CID 11428473) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
PubChem CID11428473
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1
InChIInChI=1S/C21H21N3OS/c1-14-9-15(2)11-17(10-14)24-21(25)18-5-3-4-6-19(18)26-13-16-7-8-23-20(22)12-16/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyIXLMILYKEURRJC-UHFFFAOYSA-N
XLogP4.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 68841427
N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxy-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 23093889
4-[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]pyridine-2-carboxylic acid
CID 23093762
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide;hydrochloride
CID 68842926
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 23151002
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
N-(3,5-dimethylphenyl)-2-[[2-(propylcarbamoylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11305473
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide (CID 11428473) is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is IXLMILYKEURRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14-9-15(2)11-17(10-14)24-21(25)18-5-3-4-6-19(18)26-13-16-7-8-23-20(22)12-16/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide?
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide has a molecular weight of 363.49 g/mol, XLogP of 4.83, 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-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 11428473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).