3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide

C19H24N2O3S — CID 119950005

IUPAC3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
SMILESNC(CC(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c20-18(17-10-5-2-6-11-17)14-19(22)21-12-7-13-25(23,24)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,20H2,(H,21,22)
InChIKeyUZLRFIHTYIHXBZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.20
Rot. Bonds9

About 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide

3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide (PubChem CID 119950005) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
PubChem CID119950005
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
SMILESNC(CC(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c20-18(17-10-5-2-6-11-17)14-19(22)21-12-7-13-25(23,24)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,20H2,(H,21,22)
InChIKeyUZLRFIHTYIHXBZ-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
[2-(3-benzylsulfonylpropylamino)-2-oxoethyl] acetate
CID 166191912
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
2-amino-N-(3-benzylsulfonylpropyl)-2-phenylpropanamide
CID 120589008
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide (CID 119950005) is 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide is NC(CC(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide?
The InChIKey is UZLRFIHTYIHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c20-18(17-10-5-2-6-11-17)14-19(22)21-12-7-13-25(23,24)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,20H2,(H,21,22).
What are the key properties of 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide?
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 119950005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).