N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

C18H19F2NO3S — CID 25499840

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2SC(F)F)cc1OC
InChIInChI=1S/C18H19F2NO3S/c1-23-14-9-7-12(11-15(14)24-2)8-10-17(22)21-13-5-3-4-6-16(13)25-18(19)20/h3-7,9,11,18H,8,10H2,1-2H3,(H,21,22)
InChIKeyFXOAOGMQGFRYQA-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.59
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 25499840) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID25499840
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2SC(F)F)cc1OC
InChIInChI=1S/C18H19F2NO3S/c1-23-14-9-7-12(11-15(14)24-2)8-10-17(22)21-13-5-3-4-6-16(13)25-18(19)20/h3-7,9,11,18H,8,10H2,1-2H3,(H,21,22)
InChIKeyFXOAOGMQGFRYQA-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

3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31523995
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 25499840) is N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccccc2SC(F)F)cc1OC.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is FXOAOGMQGFRYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-23-14-9-7-12(11-15(14)24-2)8-10-17(22)21-13-5-3-4-6-16(13)25-18(19)20/h3-7,9,11,18H,8,10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[2-(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-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 25499840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).