N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

C19H19F2NOS — CID 46591264

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C19H19F2NOS/c1-12(17-10-15(20)6-8-18(17)21)22-19(23)11-24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,22,23)
InChIKeyFPTCTEHHMFWUHR-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.42
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (PubChem CID 46591264) has the molecular formula C19H19F2NOS and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
PubChem CID46591264
Molecular FormulaC19H19F2NOS
Molecular Weight347.43 g/mol
Exact Mass347.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C19H19F2NOS/c1-12(17-10-15(20)6-8-18(17)21)22-19(23)11-24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,22,23)
InChIKeyFPTCTEHHMFWUHR-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7737211
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133185918
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
CID 86881488
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (CID 46591264) is N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is CC(NC(=O)CSc1ccc2c(c1)CCC2)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The InChIKey is FPTCTEHHMFWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NOS/c1-12(17-10-15(20)6-8-18(17)21)22-19(23)11-24-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,22,23).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is sourced from PubChem (CID 46591264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).