(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide

C18H18F2N2OS — CID 9432032

IUPAC(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H18F2N2OS/c1-12(22-11-10-13-4-2-3-5-16(13)22)17(23)21-14-6-8-15(9-7-14)24-18(19)20/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyPMPKSBJYPMPOIT-LBPRGKRZSA-N
MW348.42 g/mol
LogP4.39
Rot. Bonds5

About (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide

(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 9432032) has the molecular formula C18H18F2N2OS and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
PubChem CID9432032
Molecular FormulaC18H18F2N2OS
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H18F2N2OS/c1-12(22-11-10-13-4-2-3-5-16(13)22)17(23)21-14-6-8-15(9-7-14)24-18(19)20/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyPMPKSBJYPMPOIT-LBPRGKRZSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7998746
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 16792940
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
CID 75494168
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide (CID 9432032) is (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCc2ccccc21.
What is the InChIKey of (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is PMPKSBJYPMPOIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18F2N2OS/c1-12(22-11-10-13-4-2-3-5-16(13)22)17(23)21-14-6-8-15(9-7-14)24-18(19)20/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 9432032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).