N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide

C20H31N5O5S — CID 43039662

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H31N5O5S/c1-22(2)31(28,29)18-5-3-4-17(14-18)21-19(26)15-23-6-8-25(9-7-23)20(27)16-24-10-12-30-13-11-24/h3-5,14H,6-13,15-16H2,1-2H3,(H,21,26)
InChIKeyXPALXSBHKAUBDN-UHFFFAOYSA-N
MW453.57 g/mol
LogP-0.65
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 43039662) has the molecular formula C20H31N5O5S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
PubChem CID43039662
Molecular FormulaC20H31N5O5S
Molecular Weight453.57 g/mol
Exact Mass453.20
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H31N5O5S/c1-22(2)31(28,29)18-5-3-4-17(14-18)21-19(26)15-23-6-8-25(9-7-23)20(27)16-24-10-12-30-13-11-24/h3-5,14H,6-13,15-16H2,1-2H3,(H,21,26)
InChIKeyXPALXSBHKAUBDN-UHFFFAOYSA-N
XLogP-0.65
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
2-[[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354482
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8904565
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682
methyl (2R)-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]thiomorpholine-2-carboxylate
CID 8549718
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
CID 8684485
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55498242

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide (CID 43039662) is N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is XPALXSBHKAUBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O5S/c1-22(2)31(28,29)18-5-3-4-17(14-18)21-19(26)15-23-6-8-25(9-7-23)20(27)16-24-10-12-30-13-11-24/h3-5,14H,6-13,15-16H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 453.57 g/mol, XLogP of -0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43039662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).