N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide

C15H24N2O3S — CID 107751582

IUPACN-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-7-6-13(16)8-11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyZVZUZROGHABQJP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.37
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide

N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide (PubChem CID 107751582) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
PubChem CID107751582
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-7-6-13(16)8-11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyZVZUZROGHABQJP-UHFFFAOYSA-N
XLogP2.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.37
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-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176
methyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate
CID 43618134

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide (CID 107751582) is N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide is CCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The InChIKey is ZVZUZROGHABQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-7-6-13(16)8-11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 107751582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).