4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C20H27N5O3S — CID 55721603

IUPAC4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H27N5O3S/c1-3-25(4-2)29(27,28)18-8-6-16(7-9-18)19(26)23-17-10-14-24(15-11-17)20-21-12-5-13-22-20/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,23,26)
InChIKeyMRXWNUGJMYMGTC-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.91
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 55721603) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID55721603
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H27N5O3S/c1-3-25(4-2)29(27,28)18-8-6-16(7-9-18)19(26)23-17-10-14-24(15-11-17)20-21-12-5-13-22-20/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,23,26)
InChIKeyMRXWNUGJMYMGTC-UHFFFAOYSA-N
XLogP1.91
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzamide
CID 55961559
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
4-(diethylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 46671899
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55705433

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 55721603) is 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is MRXWNUGJMYMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-25(4-2)29(27,28)18-8-6-16(7-9-18)19(26)23-17-10-14-24(15-11-17)20-21-12-5-13-22-20/h5-9,12-13,17H,3-4,10-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 417.54 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55721603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).