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

C15H22N4O4S — CID 113097467

IUPAC1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESCN(C)S(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N4O4S/c1-17(2)24(22,23)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21)
InChIKeySWJPJLGCCWOJRS-UHFFFAOYSA-N
MW354.43 g/mol
LogP-0.06
Rot. Bonds4

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

1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide (PubChem CID 113097467) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
PubChem CID113097467
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
SMILESCN(C)S(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22N4O4S/c1-17(2)24(22,23)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21)
InChIKeySWJPJLGCCWOJRS-UHFFFAOYSA-N
XLogP-0.06
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.06
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-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097466
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111287561
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097715
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
1-benzyl-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953222

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide (CID 113097467) is 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide is CN(C)S(=O)(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
The InChIKey is SWJPJLGCCWOJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-17(2)24(22,23)15(21)16-12-14(20)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,21).
What are the key properties of 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide?
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide has a molecular weight of 354.43 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 113097467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).