2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

C21H23N5O5S — CID 30887082

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccnc2-n2cccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N5O5S/c1-30-18-6-5-16(14-19(18)32(28,29)25-10-12-31-13-11-25)15-20(27)24-17-4-2-7-22-21(17)26-9-3-8-23-26/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyZXOHHIOISLYESJ-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.48
Rot. Bonds7

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 30887082) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID30887082
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccnc2-n2cccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N5O5S/c1-30-18-6-5-16(14-19(18)32(28,29)25-10-12-31-13-11-25)15-20(27)24-17-4-2-7-22-21(17)26-9-3-8-23-26/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyZXOHHIOISLYESJ-UHFFFAOYSA-N
XLogP1.48
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 27898430
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 42905293
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (CID 30887082) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is COc1ccc(CC(=O)Nc2cccnc2-n2cccn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is ZXOHHIOISLYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-30-18-6-5-16(14-19(18)32(28,29)25-10-12-31-13-11-25)15-20(27)24-17-4-2-7-22-21(17)26-9-3-8-23-26/h2-9,14H,10-13,15H2,1H3,(H,24,27).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 457.51 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 30887082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).