N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

C14H21FN2O3S — CID 107751528

IUPACN-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-6-5-11(15)7-12(13)16/h5-10H,16H2,1-4H3,(H,17,18)
InChIKeyMGHMGWWJCZDVOM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.19
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (PubChem CID 107751528) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
PubChem CID107751528
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-6-5-11(15)7-12(13)16/h5-10H,16H2,1-4H3,(H,17,18)
InChIKeyMGHMGWWJCZDVOM-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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (CID 107751528) is N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is CC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The InChIKey is MGHMGWWJCZDVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-8(2)9(3)21(19,20)10(4)14(18)17-13-6-5-11(15)7-12(13)16/h5-10H,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
N-(2-amino-4-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-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is sourced from PubChem (CID 107751528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).