N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

C15H22N2O4S — CID 6473513

IUPACN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-17(11-15(18)16-12-5-6-12)22(19,20)14-9-7-13(8-10-14)21-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,16,18)
InChIKeyRHFCACAPEQSLGZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.37
Rot. Bonds8

About N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 6473513) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
PubChem CID6473513
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-17(11-15(18)16-12-5-6-12)22(19,20)14-9-7-13(8-10-14)21-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,16,18)
InChIKeyRHFCACAPEQSLGZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (CID 6473513) is N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is RHFCACAPEQSLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-17(11-15(18)16-12-5-6-12)22(19,20)14-9-7-13(8-10-14)21-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 6473513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).