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

C16H33N3O5S — CID 170640065

IUPAC2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H33N3O5S/c1-14(2)24-13-16(20)17-5-11-23-12-10-18-6-8-19(9-7-18)25(21,22)15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20)
InChIKeyVYYCBRCZSGICKW-UHFFFAOYSA-N
MW379.52 g/mol
LogP-0.10
Rot. Bonds11

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

2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (PubChem CID 170640065) has the molecular formula C16H33N3O5S and a molecular weight of 379.52 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
PubChem CID170640065
Molecular FormulaC16H33N3O5S
Molecular Weight379.52 g/mol
Exact Mass379.21
IUPAC Name2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
SMILESCC(C)OCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H33N3O5S/c1-14(2)24-13-16(20)17-5-11-23-12-10-18-6-8-19(9-7-18)25(21,22)15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20)
InChIKeyVYYCBRCZSGICKW-UHFFFAOYSA-N
XLogP-0.10
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 5-0.10
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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Related Compounds

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CID 164634609
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CID 46199859
CID 46199859
CID 71119723
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CID 145385419
CID 145385419
CID 164556926
CID 164556926
CID 164557065
CID 164557065
CID 164557080
CID 164557080
CID 164557141
CID 164557141
CID 164557163
CID 164557163
CID 164557290
CID 164557290
CID 164557341
CID 164557341

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (CID 170640065) is 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide is CC(C)OCC(=O)NCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The InChIKey is VYYCBRCZSGICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O5S/c1-14(2)24-13-16(20)17-5-11-23-12-10-18-6-8-19(9-7-18)25(21,22)15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20).
What are the key properties of 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide has a molecular weight of 379.52 g/mol, XLogP of -0.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide is sourced from PubChem (CID 170640065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).