4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide

C14H22N2O3S — CID 63323905

IUPAC4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
SMILESCS(=O)(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)11-5-10-16-14(17)9-8-13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyNKZIODZWTQTYLR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds8

About 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide

4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide (PubChem CID 63323905) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
PubChem CID63323905
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
SMILESCS(=O)(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)11-5-10-16-14(17)9-8-13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyNKZIODZWTQTYLR-UHFFFAOYSA-N
XLogP1.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
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

methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide (CID 63323905) is 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide is CS(=O)(=O)CCCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide?
The InChIKey is NKZIODZWTQTYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(18,19)11-5-10-16-14(17)9-8-13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide?
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 63323905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).