3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide

C13H21N3O3S — CID 107329565

IUPAC3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCS(=O)(=O)NCCCNC(=O)CCc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-10-4-9-15-13(17)8-7-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,14H2,1H3,(H,15,17)
InChIKeyYLOJZLPCVHWMIK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.26
Rot. Bonds8

About 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide

3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide (PubChem CID 107329565) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
PubChem CID107329565
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCS(=O)(=O)NCCCNC(=O)CCc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-10-4-9-15-13(17)8-7-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,14H2,1H3,(H,15,17)
InChIKeyYLOJZLPCVHWMIK-UHFFFAOYSA-N
XLogP0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide (CID 107329565) is 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide is CS(=O)(=O)NCCCNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide?
The InChIKey is YLOJZLPCVHWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(18,19)16-10-4-9-15-13(17)8-7-11-5-2-3-6-12(11)14/h2-3,5-6,16H,4,7-10,14H2,1H3,(H,15,17).
What are the key properties of 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide?
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide is sourced from PubChem (CID 107329565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).