3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide

C20H32N4O4S — CID 96501882

IUPAC3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C20H32N4O4S/c1-4-24(5-2)29(27,28)18-10-6-9-17(12-18)20(26)22-14-19(25)21-13-16-8-7-11-23(3)15-16/h6,9-10,12,16H,4-5,7-8,11,13-15H2,1-3H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyUCVWYPYOOARFIH-MRXNPFEDSA-N
MW424.57 g/mol
LogP0.90
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide

3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 96501882) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
PubChem CID96501882
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C20H32N4O4S/c1-4-24(5-2)29(27,28)18-10-6-9-17(12-18)20(26)22-14-19(25)21-13-16-8-7-11-23(3)15-16/h6,9-10,12,16H,4-5,7-8,11,13-15H2,1-3H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyUCVWYPYOOARFIH-MRXNPFEDSA-N
XLogP0.90
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119396973
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CID 2712357
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17485125
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
CID 98212713
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 119414247
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119521498
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide (CID 96501882) is 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCCN(C)C2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is UCVWYPYOOARFIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-4-24(5-2)29(27,28)18-10-6-9-17(12-18)20(26)22-14-19(25)21-13-16-8-7-11-23(3)15-16/h6,9-10,12,16H,4-5,7-8,11,13-15H2,1-3H3,(H,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 96501882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).