3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C24H25N3O4S — CID 55774654

IUPAC3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O4S/c28-24(26-17-21-8-5-11-25-23(21)27-12-14-31-15-13-27)20-7-4-6-19(16-20)18-32(29,30)22-9-2-1-3-10-22/h1-11,16H,12-15,17-18H2,(H,26,28)
InChIKeyOOMSDPATSNCAJM-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.82
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55774654) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID55774654
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O4S/c28-24(26-17-21-8-5-11-25-23(21)27-12-14-31-15-13-27)20-7-4-6-19(16-20)18-32(29,30)22-9-2-1-3-10-22/h1-11,16H,12-15,17-18H2,(H,26,28)
InChIKeyOOMSDPATSNCAJM-UHFFFAOYSA-N
XLogP2.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 43057948
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55777426
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 39249339
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 78872062
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 46431752
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 48986231
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 55774654) is 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1N1CCOCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is OOMSDPATSNCAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(26-17-21-8-5-11-25-23(21)27-12-14-31-15-13-27)20-7-4-6-19(16-20)18-32(29,30)22-9-2-1-3-10-22/h1-11,16H,12-15,17-18H2,(H,26,28).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55774654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).