(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide

C19H26N4O4S — CID 125000431

IUPAC(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cncc(-c3cccc(OC)c3)n2)C1
InChIInChI=1S/C19H26N4O4S/c1-4-22(5-2)28(24,25)23-9-10-27-19(14-23)18-13-20-12-17(21-18)15-7-6-8-16(11-15)26-3/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3/t19-/m1/s1
InChIKeyRVSSHEDQOVSFBG-LJQANCHMSA-N
MW406.51 g/mol
LogP2.11
Rot. Bonds7

About (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide

(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide (PubChem CID 125000431) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
PubChem CID125000431
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cncc(-c3cccc(OC)c3)n2)C1
InChIInChI=1S/C19H26N4O4S/c1-4-22(5-2)28(24,25)23-9-10-27-19(14-23)18-13-20-12-17(21-18)15-7-6-8-16(11-15)26-3/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3/t19-/m1/s1
InChIKeyRVSSHEDQOVSFBG-LJQANCHMSA-N
XLogP2.11
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124956255
4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127251049
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
CID 75474717
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 92600457
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
CID 124978058
2-(3-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyrazine
CID 95819598
4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127250979
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide?
The IUPAC name of (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide (CID 125000431) is (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide.
What is the SMILES notation for (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide?
The canonical SMILES for (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide is CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cncc(-c3cccc(OC)c3)n2)C1.
What is the InChIKey of (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide?
The InChIKey is RVSSHEDQOVSFBG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-22(5-2)28(24,25)23-9-10-27-19(14-23)18-13-20-12-17(21-18)15-7-6-8-16(11-15)26-3/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide?
(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 125000431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).