N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide

C12H18N2O3S — CID 43382336

IUPACN-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)9(3)12(15)14-11-6-5-10(13)7-8(11)2/h5-7,9H,4,13H2,1-3H3,(H,14,15)
InChIKeyVXFQDXJHMCVWAZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.34
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide

N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide (PubChem CID 43382336) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
PubChem CID43382336
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)9(3)12(15)14-11-6-5-10(13)7-8(11)2/h5-7,9H,4,13H2,1-3H3,(H,14,15)
InChIKeyVXFQDXJHMCVWAZ-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.34
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-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide (CID 43382336) is N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide is CCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide?
The InChIKey is VXFQDXJHMCVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-18(16,17)9(3)12(15)14-11-6-5-10(13)7-8(11)2/h5-7,9H,4,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide?
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.34, 4 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-ethylsulfonylpropanamide is sourced from PubChem (CID 43382336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).