2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide

C14H21FN2O2S — CID 81190422

IUPAC2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyOPDSHKRQAMJLHU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide

2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide (PubChem CID 81190422) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
PubChem CID81190422
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyOPDSHKRQAMJLHU-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-fluoro-4-pentylsulfinylaniline
CID 81190922
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81182077
2-(2-amino-6-chlorophenyl)sulfinyl-N-butylpropanamide
CID 81186246
2-(4-amino-3-fluorophenyl)sulfinylpropanenitrile
CID 81190670
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
1-[4-(4-amino-3-fluorophenoxy)phenyl]-3-pentylurea
CID 69189342
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide (CID 81190422) is 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide is CCCCCNC(=O)C(C)S(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide?
The InChIKey is OPDSHKRQAMJLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide?
2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide is sourced from PubChem (CID 81190422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).