2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C15H24N4O3S — CID 97094405

IUPAC2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESC[C@H]1CN(C)CCN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O3S/c1-12-10-18(2)7-8-19(12)11-15(20)17-9-13-3-5-14(6-4-13)23(16,21)22/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m0/s1
InChIKeyWFUANGAMLVHRFI-LBPRGKRZSA-N
MW340.45 g/mol
LogP-0.41
Rot. Bonds5

About 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 97094405) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID97094405
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESC[C@H]1CN(C)CCN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O3S/c1-12-10-18(2)7-8-19(12)11-15(20)17-9-13-3-5-14(6-4-13)23(16,21)22/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m0/s1
InChIKeyWFUANGAMLVHRFI-LBPRGKRZSA-N
XLogP-0.41
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 71877586
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 50968872
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71877575
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 30739658
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 112521930
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 162659523
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 97094405) is 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is C[C@H]1CN(C)CCN1CC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is WFUANGAMLVHRFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-10-18(2)7-8-19(12)11-15(20)17-9-13-3-5-14(6-4-13)23(16,21)22/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 97094405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).