N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide

C14H22N2O3S — CID 107751658

IUPACN-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)9-20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyKHSXLKOGQVYPOM-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.06
Rot. Bonds6

About N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide

N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide (PubChem CID 107751658) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
PubChem CID107751658
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)9-20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyKHSXLKOGQVYPOM-UHFFFAOYSA-N
XLogP2.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.06
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-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
CID 43444541
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide (CID 107751658) is N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide is CCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide?
The InChIKey is KHSXLKOGQVYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10(2)9-20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide?
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 107751658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).