N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide

C21H20N2O2S — CID 1124076

IUPACN-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C21H20N2O2S/c1-25-19-14-17(26-2)11-12-18(19)21(24)23(20-10-6-7-13-22-20)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyMSJUFCWDEHGUMD-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.66
Rot. Bonds6

About N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide

N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide (PubChem CID 1124076) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
PubChem CID1124076
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C21H20N2O2S/c1-25-19-14-17(26-2)11-12-18(19)21(24)23(20-10-6-7-13-22-20)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKeyMSJUFCWDEHGUMD-UHFFFAOYSA-N
XLogP4.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
CID 84596527
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
2-[4-[[(2-methoxy-4-methylsulfanylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66774637
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
2-methoxy-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135622288
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41115646
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
(4-benzylpiperidin-4-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 129225711
N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
CID 18830895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The IUPAC name of N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide (CID 1124076) is N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide is COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The InChIKey is MSJUFCWDEHGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-19-14-17(26-2)11-12-18(19)21(24)23(20-10-6-7-13-22-20)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 1124076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).