2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide

C15H31N3O5S — CID 164557080

IUPAC2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
SMILESCCOCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H31N3O5S/c1-4-22-13-15(19)16-5-11-23-12-10-17-6-8-18(9-7-17)24(20,21)14(2)3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOUQQHCCZVUYTOA-UHFFFAOYSA-N
MW365.50 g/mol
LogP-0.49
Rot. Bonds11

About 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide

2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (PubChem CID 164557080) has the molecular formula C15H31N3O5S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
PubChem CID164557080
Molecular FormulaC15H31N3O5S
Molecular Weight365.50 g/mol
Exact Mass365.20
IUPAC Name2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
SMILESCCOCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H31N3O5S/c1-4-22-13-15(19)16-5-11-23-12-10-17-6-8-18(9-7-17)24(20,21)14(2)3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOUQQHCCZVUYTOA-UHFFFAOYSA-N
XLogP-0.49
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (CID 164557080) is 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide is CCOCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The InChIKey is OUQQHCCZVUYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O5S/c1-4-22-13-15(19)16-5-11-23-12-10-17-6-8-18(9-7-17)24(20,21)14(2)3/h14H,4-13H2,1-3H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide has a molecular weight of 365.50 g/mol, XLogP of -0.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide is sourced from PubChem (CID 164557080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).