1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide

C17H25N3O4S — CID 113097466

IUPAC1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESCCCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-3-13-25(23,24)17(22)18-14-16(21)20-11-9-19(10-12-20)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,18,22)
InChIKeyKZPPYSZEKNHFRM-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.26
Rot. Bonds6

About 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide

1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide (PubChem CID 113097466) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
PubChem CID113097466
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESCCCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-3-13-25(23,24)17(22)18-14-16(21)20-11-9-19(10-12-20)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,18,22)
InChIKeyKZPPYSZEKNHFRM-UHFFFAOYSA-N
XLogP1.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfonyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097572
1-butylsulfonyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097520
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097715
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-propylguanidine;hydroiodide
CID 111228438
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide (CID 113097466) is 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide is CCCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The InChIKey is KZPPYSZEKNHFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-3-13-25(23,24)17(22)18-14-16(21)20-11-9-19(10-12-20)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,18,22).
What are the key properties of 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide has a molecular weight of 367.47 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 113097466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).