(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide

C19H24FNOS — CID 8513195

IUPAC(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide
SMILESC[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H24FNOS/c1-12(18(22)21-17-5-3-2-4-16(17)20)23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyJDTCQMUDTKUVPD-UHSVVUDUSA-N
MW333.47 g/mol
LogP4.85
Rot. Bonds4

About (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide

(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide (PubChem CID 8513195) has the molecular formula C19H24FNOS and a molecular weight of 333.47 g/mol. Its IUPAC name is (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide
PubChem CID8513195
Molecular FormulaC19H24FNOS
Molecular Weight333.47 g/mol
Exact Mass333.16
IUPAC Name(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide
SMILESC[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H24FNOS/c1-12(18(22)21-17-5-3-2-4-16(17)20)23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyJDTCQMUDTKUVPD-UHSVVUDUSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide 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

2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8513385
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
[2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5008790
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 25487545
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide (CID 8513195) is (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide is C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide?
The InChIKey is JDTCQMUDTKUVPD-UHSVVUDUSA-N. The full InChI is InChI=1S/C19H24FNOS/c1-12(18(22)21-17-5-3-2-4-16(17)20)23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1.
What are the key properties of (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide?
(2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide has a molecular weight of 333.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-adamantylsulfanyl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 8513195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).