N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

C14H21FN2O3S — CID 107751503

IUPACN-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-7-11(16)5-6-12(13)15/h5-10H,16H2,1-4H3,(H,17,18)
InChIKeyIHVCDMHDENNQAM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.19
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (PubChem CID 107751503) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
PubChem CID107751503
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-7-11(16)5-6-12(13)15/h5-10H,16H2,1-4H3,(H,17,18)
InChIKeyIHVCDMHDENNQAM-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107751528
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
CID 62349835
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (CID 107751503) is N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is CC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The InChIKey is IHVCDMHDENNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-7-11(16)5-6-12(13)15/h5-10H,16H2,1-4H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is sourced from PubChem (CID 107751503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).