2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide

C14H22N2O3S — CID 82180102

IUPAC2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)S(=O)(=O)CCCN)c1
InChIInChI=1S/C14H22N2O3S/c1-10-5-6-11(2)13(9-10)16-14(17)12(3)20(18,19)8-4-7-15/h5-6,9,12H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyLAKWCXYLKFLGAQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.39
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide

2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 82180102) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID82180102
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)S(=O)(=O)CCCN)c1
InChIInChI=1S/C14H22N2O3S/c1-10-5-6-11(2)13(9-10)16-14(17)12(3)20(18,19)8-4-7-15/h5-6,9,12H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyLAKWCXYLKFLGAQ-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide (CID 82180102) is 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)S(=O)(=O)CCCN)c1.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is LAKWCXYLKFLGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-5-6-11(2)13(9-10)16-14(17)12(3)20(18,19)8-4-7-15/h5-6,9,12H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide?
2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 82180102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).