N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C20H28N4O4S — CID 47030090

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c(C)n1-c1ccccn1
InChIInChI=1S/C20H28N4O4S/c1-14-11-18(17(4)24(14)19-7-5-6-8-21-19)20(25)22-9-10-29(26,27)23-12-15(2)28-16(3)13-23/h5-8,11,15-16H,9-10,12-13H2,1-4H3,(H,22,25)
InChIKeyMSDYNPLFSANEJP-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 47030090) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID47030090
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c(C)n1-c1ccccn1
InChIInChI=1S/C20H28N4O4S/c1-14-11-18(17(4)24(14)19-7-5-6-8-21-19)20(25)22-9-10-29(26,27)23-12-15(2)28-16(3)13-23/h5-8,11,15-16H,9-10,12-13H2,1-4H3,(H,22,25)
InChIKeyMSDYNPLFSANEJP-UHFFFAOYSA-N
XLogP1.66
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55955991
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634814
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
CID 51942956
N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 47030090) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c(C)n1-c1ccccn1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is MSDYNPLFSANEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-11-18(17(4)24(14)19-7-5-6-8-21-19)20(25)22-9-10-29(26,27)23-12-15(2)28-16(3)13-23/h5-8,11,15-16H,9-10,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 47030090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).