3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide

C14H22N2O3S — CID 79556235

IUPAC3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1cccc(N)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)8-7-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyGOTMMJAYANFYGQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.14
Rot. Bonds6

About 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide

3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide (PubChem CID 79556235) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
PubChem CID79556235
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1cccc(N)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)8-7-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyGOTMMJAYANFYGQ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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

3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
CID 43546334
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551523
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
CID 115341412
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide (CID 79556235) is 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide is CC(C)(CNC(=O)CCc1cccc(N)c1)S(C)(=O)=O.
What is the InChIKey of 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The InChIKey is GOTMMJAYANFYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,20(3,18)19)10-16-13(17)8-7-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 79556235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).