2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide

C15H24N2O3S — CID 112994808

IUPAC2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-3-12-21(19,20)17-13-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3,(H,16,18)
InChIKeyPFHFEQHBVQACJQ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.45
Rot. Bonds10

About 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide

2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide (PubChem CID 112994808) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
PubChem CID112994808
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-3-12-21(19,20)17-13-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3,(H,16,18)
InChIKeyPFHFEQHBVQACJQ-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 112995859
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
N-(4-phenylbutyl)hexanamide
CID 4985988
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992739
2-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111149751
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide (CID 112994808) is 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide is CCCCS(=O)(=O)NCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide?
The InChIKey is PFHFEQHBVQACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-3-12-21(19,20)17-13-15(18)16-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3,(H,16,18).
What are the key properties of 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide?
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 112994808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).