N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide

C18H19NO3S — CID 9404793

IUPACN-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1SCC(C)=O
InChIInChI=1S/C18H19NO3S/c1-13(20)12-23-17-10-6-4-8-15(17)18(21)19-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIXJFTYQRNHXXIE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.31
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide

N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide (PubChem CID 9404793) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
PubChem CID9404793
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1SCC(C)=O
InChIInChI=1S/C18H19NO3S/c1-13(20)12-23-17-10-6-4-8-15(17)18(21)19-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIXJFTYQRNHXXIE-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26776005
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
N-[(2-methoxyphenyl)methyl]-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9404800
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34555167
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide (CID 9404793) is N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide is COc1ccccc1CNC(=O)c1ccccc1SCC(C)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide?
The InChIKey is IXJFTYQRNHXXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13(20)12-23-17-10-6-4-8-15(17)18(21)19-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide?
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide is sourced from PubChem (CID 9404793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).