2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide

C14H20F2N2OS — CID 61360215

IUPAC2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1c(F)cc(N)cc1F
InChIInChI=1S/C14H20F2N2OS/c1-4-5-8(2)18-14(19)9(3)20-13-11(15)6-10(17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyNDBGUQMIILWXOJ-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide

2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide (PubChem CID 61360215) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
PubChem CID61360215
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1c(F)cc(N)cc1F
InChIInChI=1S/C14H20F2N2OS/c1-4-5-8(2)18-14(19)9(3)20-13-11(15)6-10(17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyNDBGUQMIILWXOJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide 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-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
CID 61360046
2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 81192671
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
3-(4-amino-2,6-difluorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62627895
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylpropanamide
CID 63313297
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylpropanamide
CID 63313405
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
CID 64663351
2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
CID 103705836
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
CID 86997502

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide (CID 61360215) is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Sc1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The InChIKey is NDBGUQMIILWXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-4-5-8(2)18-14(19)9(3)20-13-11(15)6-10(17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide has a molecular weight of 302.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 61360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).