3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

C23H24N2O3S — CID 34425823

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3S/c1-27-21-11-5-17(14-22(21)28-2)6-12-23(26)25-19-7-9-20(10-8-19)29-16-18-4-3-13-24-15-18/h3-5,7-11,13-15H,6,12,16H2,1-2H3,(H,25,26)
InChIKeyIEMSHMMQNSSRPB-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.96
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (PubChem CID 34425823) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
PubChem CID34425823
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3S/c1-27-21-11-5-17(14-22(21)28-2)6-12-23(26)25-19-7-9-20(10-8-19)29-16-18-4-3-13-24-15-18/h3-5,7-11,13-15H,6,12,16H2,1-2H3,(H,25,26)
InChIKeyIEMSHMMQNSSRPB-UHFFFAOYSA-N
XLogP4.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 18281305
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 42054101

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (CID 34425823) is 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The InChIKey is IEMSHMMQNSSRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-21-11-5-17(14-22(21)28-2)6-12-23(26)25-19-7-9-20(10-8-19)29-16-18-4-3-13-24-15-18/h3-5,7-11,13-15H,6,12,16H2,1-2H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 34425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).