N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C19H23NO4S — CID 2665681

IUPACN-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-22-16-10-13(11-17(23-2)19(16)24-3)8-9-18(21)20-14-6-5-7-15(12-14)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21)
InChIKeyVPJUTSGSBGBLCQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.01
Rot. Bonds8

About N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2665681) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2665681
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-22-16-10-13(11-17(23-2)19(16)24-3)8-9-18(21)20-14-6-5-7-15(12-14)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21)
InChIKeyVPJUTSGSBGBLCQ-UHFFFAOYSA-N
XLogP4.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 43011243
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 71823175
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2665681) is N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is VPJUTSGSBGBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-22-16-10-13(11-17(23-2)19(16)24-3)8-9-18(21)20-14-6-5-7-15(12-14)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21).
What are the key properties of N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 361.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2665681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).