N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide

C19H32N2O3S — CID 20630493

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

About N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide

N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide (PubChem CID 20630493) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
PubChem CID20630493
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
SMILESCCCCc1ccc(NC(=O)CCCCCNS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H32N2O3S/c1-4-5-9-17-11-13-18(14-12-17)21-19(22)10-7-6-8-15-20-25(23,24)16(2)3/h11-14,16,20H,4-10,15H2,1-3H3,(H,21,22)
InChIKeyXUVFAKQJNHRMNQ-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

5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
CID 20630489
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-dodecylphenyl)-6-[4-[4-(prop-2-enoylamino)phenyl]butanoylamino]hexanamide
CID 67517696
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide?
The IUPAC name of N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide (CID 20630493) is N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide.
What is the SMILES notation for N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide?
The canonical SMILES for N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide is CCCCc1ccc(NC(=O)CCCCCNS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide?
The InChIKey is XUVFAKQJNHRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-4-5-9-17-11-13-18(14-12-17)21-19(22)10-7-6-8-15-20-25(23,24)16(2)3/h11-14,16,20H,4-10,15H2,1-3H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide?
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide 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 N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide is sourced from PubChem (CID 20630493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).