(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C19H23F2NOS — CID 9055668

IUPAC(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NOS/c1-11(24-15-2-3-16(20)17(21)7-15)18(23)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyJARABMJBIKYMSW-UZNLNLPZSA-N
MW351.46 g/mol
LogP4.53
Rot. Bonds4

About (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9055668) has the molecular formula C19H23F2NOS and a molecular weight of 351.46 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID9055668
Molecular FormulaC19H23F2NOS
Molecular Weight351.46 g/mol
Exact Mass351.15
IUPAC Name(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23F2NOS/c1-11(24-15-2-3-16(20)17(21)7-15)18(23)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyJARABMJBIKYMSW-UZNLNLPZSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(1-adamantylcarbamoyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055729
(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 7816486
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-N-(1-adamantyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 100542464
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
(2R)-N-(1-adamantyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7989746
(2S)-N-(1-adamantyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7989745
[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 9055668) is (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is JARABMJBIKYMSW-UZNLNLPZSA-N. The full InChI is InChI=1S/C19H23F2NOS/c1-11(24-15-2-3-16(20)17(21)7-15)18(23)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 351.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9055668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).