N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide

C12H18N2O3S — CID 2186028

IUPACN-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-4-6-12(7-5-10)18(16,17)14-9-3-8-13-11(2)15/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyQYJQGDLIOZKRPA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.80
Rot. Bonds6

About N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide

N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide (PubChem CID 2186028) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide
PubChem CID2186028
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-10-4-6-12(7-5-10)18(16,17)14-9-3-8-13-11(2)15/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyQYJQGDLIOZKRPA-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide?
The IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide (CID 2186028) is N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide is CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide?
The InChIKey is QYJQGDLIOZKRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-4-6-12(7-5-10)18(16,17)14-9-3-8-13-11(2)15/h4-7,14H,3,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide?
N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)sulfonylamino]propyl]acetamide is sourced from PubChem (CID 2186028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).