5-(tert-butylsulfonylamino)-N-phenylpentanamide

C15H24N2O3S — CID 20631022

IUPAC5-(tert-butylsulfonylamino)-N-phenylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,17,18)
InChIKeyPEKFOFXSRUYDJL-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.51
Rot. Bonds7

About 5-(tert-butylsulfonylamino)-N-phenylpentanamide

5-(tert-butylsulfonylamino)-N-phenylpentanamide (PubChem CID 20631022) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-phenylpentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-phenylpentanamide
PubChem CID20631022
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name5-(tert-butylsulfonylamino)-N-phenylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,17,18)
InChIKeyPEKFOFXSRUYDJL-UHFFFAOYSA-N
XLogP2.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.51
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-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
7,7-dimethyl-N-phenyloctanamide
CID 68837139
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
CID 20630295
6-formamido-N-phenylhexanamide
CID 156509815
5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-phenylpentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-phenylpentanamide (CID 20631022) is 5-(tert-butylsulfonylamino)-N-phenylpentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-phenylpentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-phenylpentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-phenylpentanamide?
The InChIKey is PEKFOFXSRUYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,17,18).
What are the key properties of 5-(tert-butylsulfonylamino)-N-phenylpentanamide?
5-(tert-butylsulfonylamino)-N-phenylpentanamide has a molecular weight of 312.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-phenylpentanamide is sourced from PubChem (CID 20631022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).