4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide

C19H24N4O3S — CID 50874512

IUPAC4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)27(25,26)15-16-5-7-17(8-6-16)19(24)21-14-18-4-2-3-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyWDJCKIYDNJFCOR-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.09
Rot. Bonds6

About 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide

4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50874512) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50874512
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)27(25,26)15-16-5-7-17(8-6-16)19(24)21-14-18-4-2-3-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyWDJCKIYDNJFCOR-UHFFFAOYSA-N
XLogP1.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969488
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
N-[(1R)-1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969605

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide (CID 50874512) is 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide is CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is WDJCKIYDNJFCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)27(25,26)15-16-5-7-17(8-6-16)19(24)21-14-18-4-2-3-9-20-18/h2-9H,10-15H2,1H3,(H,21,24).
What are the key properties of 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50874512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).