N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

C19H30N4O3S — CID 78877655

IUPACN-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-21(16-5-3-2-4-6-16)19(24)15-22-11-13-23(14-12-22)17-7-9-18(10-8-17)27(20,25)26/h7-10,16H,2-6,11-15H2,1H3,(H2,20,25,26)
InChIKeyAVLTZYIEHJPLQL-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.25
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (PubChem CID 78877655) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
PubChem CID78877655
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-21(16-5-3-2-4-6-16)19(24)15-22-11-13-23(14-12-22)17-7-9-18(10-8-17)27(20,25)26/h7-10,16H,2-6,11-15H2,1H3,(H2,20,25,26)
InChIKeyAVLTZYIEHJPLQL-UHFFFAOYSA-N
XLogP1.25
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 78877654
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide
CID 67479882
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877647
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (CID 78877655) is N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The InChIKey is AVLTZYIEHJPLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-21(16-5-3-2-4-6-16)19(24)15-22-11-13-23(14-12-22)17-7-9-18(10-8-17)27(20,25)26/h7-10,16H,2-6,11-15H2,1H3,(H2,20,25,26).
What are the key properties of N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78877655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).