N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide

C14H23N3O3S — CID 79843396

IUPACN-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-5-6-12(15)9-13(10)16-14(18)11(2)17(3)7-8-21(4,19)20/h5-6,9,11H,7-8,15H2,1-4H3,(H,16,18)
InChIKeySFJSEHYFQYEKAK-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.88
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide

N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide (PubChem CID 79843396) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
PubChem CID79843396
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-5-6-12(15)9-13(10)16-14(18)11(2)17(3)7-8-21(4,19)20/h5-6,9,11H,7-8,15H2,1-4H3,(H,16,18)
InChIKeySFJSEHYFQYEKAK-UHFFFAOYSA-N
XLogP0.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
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N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
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N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
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N-(5-amino-2-methylphenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
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N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 71908103
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide (CID 79843396) is N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide is Cc1ccc(N)cc1NC(=O)C(C)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide?
The InChIKey is SFJSEHYFQYEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-5-6-12(15)9-13(10)16-14(18)11(2)17(3)7-8-21(4,19)20/h5-6,9,11H,7-8,15H2,1-4H3,(H,16,18).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide?
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide is sourced from PubChem (CID 79843396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).