N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide

C14H21NO4S — CID 47269188

IUPACN-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-9-5-6-14(16)15-20(17,18)13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyQIMAEDADKGLAHH-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.93
Rot. Bonds7

About N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide

N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide (PubChem CID 47269188) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
PubChem CID47269188
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-9-5-6-14(16)15-20(17,18)13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyQIMAEDADKGLAHH-UHFFFAOYSA-N
XLogP1.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.93
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-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
CID 67788788
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 111043850
N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
CID 146129663
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide (CID 47269188) is N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide is CCOCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide?
The InChIKey is QIMAEDADKGLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-9-5-6-14(16)15-20(17,18)13-10-11(2)7-8-12(13)3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide?
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide has a molecular weight of 299.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide is sourced from PubChem (CID 47269188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).