2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide

C17H26N2O4S — CID 2546360

IUPAC2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCCCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-5-12-19(13-17(20)18-14-6-7-14)24(21,22)16-10-8-15(9-11-16)23-4-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyZWFZMMKRLYSSGD-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.15
Rot. Bonds10

About 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide

2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 2546360) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID2546360
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCCCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-5-12-19(13-17(20)18-14-6-7-14)24(21,22)16-10-8-15(9-11-16)23-4-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyZWFZMMKRLYSSGD-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide (CID 2546360) is 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide is CCCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is ZWFZMMKRLYSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-5-12-19(13-17(20)18-14-6-7-14)24(21,22)16-10-8-15(9-11-16)23-4-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 354.47 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-ethoxyphenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 2546360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).