(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide

C19H19F2NO2S — CID 8996406

IUPAC(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO2S/c1-12(25-15-10-9-13-5-4-6-14(13)11-15)18(23)22-16-7-2-3-8-17(16)24-19(20)21/h2-3,7-12,19H,4-6H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyRGFGQRXHDMTLRO-GFCCVEGCSA-N
MW363.43 g/mol
LogP4.90
Rot. Bonds6

About (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide

(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide (PubChem CID 8996406) has the molecular formula C19H19F2NO2S and a molecular weight of 363.43 g/mol. Its IUPAC name is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
PubChem CID8996406
Molecular FormulaC19H19F2NO2S
Molecular Weight363.43 g/mol
Exact Mass363.11
IUPAC Name(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO2S/c1-12(25-15-10-9-13-5-4-6-14(13)11-15)18(23)22-16-7-2-3-8-17(16)24-19(20)21/h2-3,7-12,19H,4-6H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyRGFGQRXHDMTLRO-GFCCVEGCSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736878
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 40810410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597294
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274459
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8940019

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide (CID 8996406) is (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide is C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide?
The InChIKey is RGFGQRXHDMTLRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19F2NO2S/c1-12(25-15-10-9-13-5-4-6-14(13)11-15)18(23)22-16-7-2-3-8-17(16)24-19(20)21/h2-3,7-12,19H,4-6H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide?
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide has a molecular weight of 363.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide is sourced from PubChem (CID 8996406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).