2-[butyl-(4-methylphenyl)sulfonylamino]acetamide

C13H20N2O3S — CID 4548658

IUPAC2-[butyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-4-9-15(10-13(14)16)19(17,18)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyJCXFDLSRWATZRF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.27
Rot. Bonds7

About 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide

2-[butyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 4548658) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID4548658
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[butyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-4-9-15(10-13(14)16)19(17,18)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyJCXFDLSRWATZRF-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide (CID 4548658) is 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is JCXFDLSRWATZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-9-15(10-13(14)16)19(17,18)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide?
2-[butyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4548658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).