2-methoxy-4-methylsulfanyl-N-propylbenzamide

C12H17NO2S — CID 2271058

IUPAC2-methoxy-4-methylsulfanyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C12H17NO2S/c1-4-7-13-12(14)10-6-5-9(16-3)8-11(10)15-2/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyVCWGBHQBCSITDV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.56
Rot. Bonds5

About 2-methoxy-4-methylsulfanyl-N-propylbenzamide

2-methoxy-4-methylsulfanyl-N-propylbenzamide (PubChem CID 2271058) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-propylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-propylbenzamide
PubChem CID2271058
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-4-methylsulfanyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C12H17NO2S/c1-4-7-13-12(14)10-6-5-9(16-3)8-11(10)15-2/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyVCWGBHQBCSITDV-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 23823481
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
CID 3134403
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568153
[2-(hexylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-propylbenzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-propylbenzamide (CID 2271058) is 2-methoxy-4-methylsulfanyl-N-propylbenzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-propylbenzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-propylbenzamide is CCCNC(=O)c1ccc(SC)cc1OC.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-propylbenzamide?
The InChIKey is VCWGBHQBCSITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-7-13-12(14)10-6-5-9(16-3)8-11(10)15-2/h5-6,8H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-propylbenzamide?
2-methoxy-4-methylsulfanyl-N-propylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-propylbenzamide is sourced from PubChem (CID 2271058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).