2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide

C14H21FN2O2S — CID 81192671

IUPAC2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-4-5-9(2)17-14(18)10(3)20(19)13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyOSCNUGJHRIUJSZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.21
Rot. Bonds6

About 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide

2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide (PubChem CID 81192671) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
PubChem CID81192671
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-4-5-9(2)17-14(18)10(3)20(19)13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyOSCNUGJHRIUJSZ-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide
CID 81191660
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
2-(2-amino-5-chlorophenyl)sulfinyl-N-butan-2-ylpropanamide
CID 81180397
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]sulfinylfuran-2-carboxylic acid
CID 63946988
2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide (CID 81192671) is 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)S(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The InChIKey is OSCNUGJHRIUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-4-5-9(2)17-14(18)10(3)20(19)13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 2.21, 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-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81192671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).