N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide

C16H25NO4S — CID 58145182

IUPACN-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
SMILESCOc1ccc(NC(=O)CCCCCS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-13(2)22(19,20)12-6-4-5-7-16(18)17-14-8-10-15(21-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,17,18)
InChIKeyBTJIFOQOCJPUMU-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.02
Rot. Bonds9

About N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide

N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide (PubChem CID 58145182) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
PubChem CID58145182
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
SMILESCOc1ccc(NC(=O)CCCCCS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-13(2)22(19,20)12-6-4-5-7-16(18)17-14-8-10-15(21-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,17,18)
InChIKeyBTJIFOQOCJPUMU-UHFFFAOYSA-N
XLogP3.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
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CID 19422065
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide
CID 9219938
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide?
The IUPAC name of N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide (CID 58145182) is N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide is COc1ccc(NC(=O)CCCCCS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide?
The InChIKey is BTJIFOQOCJPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-13(2)22(19,20)12-6-4-5-7-16(18)17-14-8-10-15(21-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide?
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide has a molecular weight of 327.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide is sourced from PubChem (CID 58145182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).