4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide

C15H24N2O3S — CID 69170687

IUPAC4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
SMILESCCN(CCCC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-17(8-6-7-14(16)18)21(19,20)15-12(3)9-11(2)10-13(15)4/h9-10H,5-8H2,1-4H3,(H2,16,18)
InChIKeyQXFCFQXPTOBNCT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.89
Rot. Bonds7

About 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide

4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide (PubChem CID 69170687) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
PubChem CID69170687
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
SMILESCCN(CCCC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-17(8-6-7-14(16)18)21(19,20)15-12(3)9-11(2)10-13(15)4/h9-10H,5-8H2,1-4H3,(H2,16,18)
InChIKeyQXFCFQXPTOBNCT-UHFFFAOYSA-N
XLogP1.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
2-[(2-amino-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid
CID 107435837
N-ethyl-2,4,6-trimethyl-N-[3-[2-(oxiran-2-yl)ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 11341646
3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62826868
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115755468
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide?
The IUPAC name of 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide (CID 69170687) is 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide?
The canonical SMILES for 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide is CCN(CCCC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide?
The InChIKey is QXFCFQXPTOBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-17(8-6-7-14(16)18)21(19,20)15-12(3)9-11(2)10-13(15)4/h9-10H,5-8H2,1-4H3,(H2,16,18).
What are the key properties of 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide?
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide has a molecular weight of 312.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 69170687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).