4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C22H30N4O3S — CID 55859491

IUPAC4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c1-3-26(4-2)30(28,29)21-10-8-18(9-11-21)22(27)24-19-12-15-25(16-13-19)17-20-7-5-6-14-23-20/h5-11,14,19H,3-4,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyLSMMATHAINBKDY-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.51
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 55859491) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID55859491
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c1-3-26(4-2)30(28,29)21-10-8-18(9-11-21)22(27)24-19-12-15-25(16-13-19)17-20-7-5-6-14-23-20/h5-11,14,19H,3-4,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyLSMMATHAINBKDY-UHFFFAOYSA-N
XLogP2.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721603
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
CID 6602988
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 87020213
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 55859491) is 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is LSMMATHAINBKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-26(4-2)30(28,29)21-10-8-18(9-11-21)22(27)24-19-12-15-25(16-13-19)17-20-7-5-6-14-23-20/h5-11,14,19H,3-4,12-13,15-17H2,1-2H3,(H,24,27).
What are the key properties of 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55859491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).