2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

C15H24N4O4S — CID 1095014

IUPAC2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C15H24N4O4S/c1-17(2)24(21,22)19-10-8-18(9-11-19)12-15(20)16-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,16,20)
InChIKeyVGUDKOUNGKYIKS-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.06
Rot. Bonds6

About 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1095014) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1095014
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C15H24N4O4S/c1-17(2)24(21,22)19-10-8-18(9-11-19)12-15(20)16-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,16,20)
InChIKeyVGUDKOUNGKYIKS-UHFFFAOYSA-N
XLogP0.06
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 1095014) is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is VGUDKOUNGKYIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-17(2)24(21,22)19-10-8-18(9-11-19)12-15(20)16-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,16,20).
What are the key properties of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1095014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).