2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide

C14H19NO3S — CID 2889735

IUPAC2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3S/c1-17-13-8-11(19-2)5-6-12(13)14(16)15-9-10-4-3-7-18-10/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyKIPZBFYFBKGCRJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.33
Rot. Bonds5

About 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide

2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2889735) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2889735
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3S/c1-17-13-8-11(19-2)5-6-12(13)14(16)15-9-10-4-3-7-18-10/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyKIPZBFYFBKGCRJ-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
[2-(Cyclohexylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2343761
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-[2-(2-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 614249
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-(methylthio)benzamide
CID 614251
[2-Methoxy-4-(methylsulfanyl)phenyl](3-methylpiperidin-1-yl)methanone
CID 2890365
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(methylsulfanyl)benzamide
CID 614253
N-isopropyl-2-methoxy-4-(methylthio)benzamide
CID 669888
N-benzyl-2-methoxy-N-methyl-4-(methylthio)benzamide
CID 670178
1-Azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
CID 760119

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide (CID 2889735) is 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide is COc1cc(SC)ccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KIPZBFYFBKGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-17-13-8-11(19-2)5-6-12(13)14(16)15-9-10-4-3-7-18-10/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide?
2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 281.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2889735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).