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

C18H19F2NO3S — CID 2095031

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C18H19F2NO3S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(22)21-13-5-7-14(8-6-13)25-18(19)20/h3,5-9,11,18H,4,10H2,1-2H3,(H,21,22)
InChIKeyQYBXECVYACMDLW-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.59
Rot. Bonds8

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

N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 2095031) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID2095031
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C18H19F2NO3S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(22)21-13-5-7-14(8-6-13)25-18(19)20/h3,5-9,11,18H,4,10H2,1-2H3,(H,21,22)
InChIKeyQYBXECVYACMDLW-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105236
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 2095031) is N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is QYBXECVYACMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(22)21-13-5-7-14(8-6-13)25-18(19)20/h3,5-9,11,18H,4,10H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 367.42 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2095031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).