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

C16H35N3O5S — CID 170640064

IUPACmolecular hydrogen;2-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.[H][H]
InChIInChI=1S/C16H33N3O5S.H2/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);1H
InChIKeyBVCNMWPOJMNKMW-UHFFFAOYSA-N
MW381.54 g/mol
LogP0.15
Rot. Bonds11

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

molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (PubChem CID 170640064) has the molecular formula C16H35N3O5S and a molecular weight of 381.54 g/mol. Its IUPAC name is molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Namemolecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
PubChem CID170640064
Molecular FormulaC16H35N3O5S
Molecular Weight381.54 g/mol
Exact Mass381.23
IUPAC Namemolecular hydrogen;2-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.[H][H]
InChIInChI=1S/C16H33N3O5S.H2/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);1H
InChIKeyBVCNMWPOJMNKMW-UHFFFAOYSA-N
XLogP0.15
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 50.15
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

2-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 52417108
2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
CID 164634609
1-(4-Ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
1-[2-(4-Ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
CID 71119723
ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
CID 145385419
2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164556926
2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 164557065
2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557080
ethane;2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfinylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557141
molecular hydrogen;2-propan-2-yloxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 164557163
N-[2-[2-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide;molecular hydrogen
CID 164557290
ethane;2-methoxy-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide;molecular hydrogen
CID 164557341

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The IUPAC name of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide (CID 170640064) is molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide.
What is the SMILES notation for molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The canonical SMILES for molecular hydrogen;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.[H][H].
What is the InChIKey of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
The InChIKey is BVCNMWPOJMNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O5S.H2/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);1H.
What are the key properties of molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide?
molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide has a molecular weight of 381.54 g/mol, XLogP of 0.15, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide is sourced from PubChem (CID 170640064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).