5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide

C19H32N2O3S — CID 20630489

IUPAC5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
SMILESCCCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)CC)cc1
InChIInChI=1S/C19H32N2O3S/c1-4-6-9-17-11-13-18(14-12-17)21-19(22)10-7-8-15-20-25(23,24)16(3)5-2/h11-14,16,20H,4-10,15H2,1-3H3,(H,21,22)
InChIKeyIYROGQYPBRGZDA-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.86
Rot. Bonds12

About 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide

5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide (PubChem CID 20630489) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide.

Molecular Properties

Compound Name5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
PubChem CID20630489
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
SMILESCCCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)CC)cc1
InChIInChI=1S/C19H32N2O3S/c1-4-6-9-17-11-13-18(14-12-17)21-19(22)10-7-8-15-20-25(23,24)16(3)5-2/h11-14,16,20H,4-10,15H2,1-3H3,(H,21,22)
InChIKeyIYROGQYPBRGZDA-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.86
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

N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-butylphenyl)-5-(tert-butylsulfonylamino)pentanethioamide
CID 20630491
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide?
The IUPAC name of 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide (CID 20630489) is 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide.
What is the SMILES notation for 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide?
The canonical SMILES for 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide is CCCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)CC)cc1.
What is the InChIKey of 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide?
The InChIKey is IYROGQYPBRGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-4-6-9-17-11-13-18(14-12-17)21-19(22)10-7-8-15-20-25(23,24)16(3)5-2/h11-14,16,20H,4-10,15H2,1-3H3,(H,21,22).
What are the key properties of 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide?
5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide has a molecular weight of 368.54 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide is sourced from PubChem (CID 20630489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).