N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide

C15H22N2O4S — CID 108574932

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H22N2O4S/c1-11-4-6-14(12(2)10-11)22(20,21)17-9-8-16-15(19)7-5-13(3)18/h4,6,10,17H,5,7-9H2,1-3H3,(H,16,19)
InChIKeyMLUGULDKCKJUTQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.07
Rot. Bonds8

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide (PubChem CID 108574932) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
PubChem CID108574932
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H22N2O4S/c1-11-4-6-14(12(2)10-11)22(20,21)17-9-8-16-15(19)7-5-13(3)18/h4,6,10,17H,5,7-9H2,1-3H3,(H,16,19)
InChIKeyMLUGULDKCKJUTQ-UHFFFAOYSA-N
XLogP1.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572838

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide (CID 108574932) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The InChIKey is MLUGULDKCKJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-4-6-14(12(2)10-11)22(20,21)17-9-8-16-15(19)7-5-13(3)18/h4,6,10,17H,5,7-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide has a molecular weight of 326.42 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide is sourced from PubChem (CID 108574932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).