N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide

C19H24N4O4S — CID 47085928

IUPACN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)cn2)CCO1
InChIInChI=1S/C19H24N4O4S/c1-14-12-23(8-9-27-14)18-7-4-16(10-21-18)11-22-19(24)17-5-2-15(3-6-17)13-28(20,25)26/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyRYHIDDLZQSPLDT-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.03
Rot. Bonds6

About N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide (PubChem CID 47085928) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
PubChem CID47085928
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)cn2)CCO1
InChIInChI=1S/C19H24N4O4S/c1-14-12-23(8-9-27-14)18-7-4-16(10-21-18)11-22-19(24)17-5-2-15(3-6-17)13-28(20,25)26/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyRYHIDDLZQSPLDT-UHFFFAOYSA-N
XLogP1.03
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55714096
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111873687
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55725322
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide?
The IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide (CID 47085928) is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide.
What is the SMILES notation for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide?
The canonical SMILES for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide is CC1CN(c2ccc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)cn2)CCO1.
What is the InChIKey of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide?
The InChIKey is RYHIDDLZQSPLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14-12-23(8-9-27-14)18-7-4-16(10-21-18)11-22-19(24)17-5-2-15(3-6-17)13-28(20,25)26/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,24)(H2,20,25,26).
What are the key properties of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide?
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide is sourced from PubChem (CID 47085928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).