N-benzyl-2-methoxy-4-methylsulfanylbenzamide

C16H17NO2S — CID 842265

IUPACN-benzyl-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-19-15-10-13(20-2)8-9-14(15)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyCAHZKFZAFCIICT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-2-methoxy-4-methylsulfanylbenzamide

N-benzyl-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 842265) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-benzyl-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-4-methylsulfanylbenzamide
PubChem CID842265
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-benzyl-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-19-15-10-13(20-2)8-9-14(15)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyCAHZKFZAFCIICT-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5467
Tiapride Hydrochloride
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JX401
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Cyprosulfamide
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N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
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2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-benzyl-2-methoxy-4-methylsulfanylbenzamide (CID 842265) is N-benzyl-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-benzyl-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-benzyl-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is CAHZKFZAFCIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-15-10-13(20-2)8-9-14(15)16(18)17-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-2-methoxy-4-methylsulfanylbenzamide?
N-benzyl-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 842265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).