4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C20H22N6O4S — CID 30840943

IUPAC4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N6O4S/c1-2-15-3-4-16(11-18(15)31(28,29)25-7-9-30-10-8-25)20(27)24-17-5-6-19(22-12-17)26-14-21-13-23-26/h3-6,11-14H,2,7-10H2,1H3,(H,24,27)
InChIKeyZIJGRCKMGZLKBC-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.50
Rot. Bonds6

About 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 30840943) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID30840943
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N6O4S/c1-2-15-3-4-16(11-18(15)31(28,29)25-7-9-30-10-8-25)20(27)24-17-5-6-19(22-12-17)26-14-21-13-23-26/h3-6,11-14H,2,7-10H2,1H3,(H,24,27)
InChIKeyZIJGRCKMGZLKBC-UHFFFAOYSA-N
XLogP1.50
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide with MolForge

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Related Compounds

methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30806019
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55818962
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838075
4-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 30838356
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 30840943) is 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is CCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is ZIJGRCKMGZLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-2-15-3-4-16(11-18(15)31(28,29)25-7-9-30-10-8-25)20(27)24-17-5-6-19(22-12-17)26-14-21-13-23-26/h3-6,11-14H,2,7-10H2,1H3,(H,24,27).
What are the key properties of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 442.50 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 30840943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).