2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

C12H18N2O3S — CID 934704

IUPAC2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-14(9-12(15)13-3)18(16,17)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyQAYWVUQHXQDDNS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.75
Rot. Bonds5

About 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 934704) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID934704
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-14(9-12(15)13-3)18(16,17)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyQAYWVUQHXQDDNS-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (CID 934704) is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is QAYWVUQHXQDDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14(9-12(15)13-3)18(16,17)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 934704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).