4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide

C22H21N3O5S — CID 43068510

IUPAC4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H21N3O5S/c26-21(24-20-7-4-12-23-22(20)30-18-5-2-1-3-6-18)17-8-10-19(11-9-17)31(27,28)25-13-15-29-16-14-25/h1-12H,13-16H2,(H,24,26)
InChIKeyOTGJJAZHGQZSLK-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.15
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide

4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide (PubChem CID 43068510) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
PubChem CID43068510
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H21N3O5S/c26-21(24-20-7-4-12-23-22(20)30-18-5-2-1-3-6-18)17-8-10-19(11-9-17)31(27,28)25-13-15-29-16-14-25/h1-12H,13-16H2,(H,24,26)
InChIKeyOTGJJAZHGQZSLK-UHFFFAOYSA-N
XLogP3.15
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068553
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide (CID 43068510) is 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide is O=C(Nc1cccnc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The InChIKey is OTGJJAZHGQZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c26-21(24-20-7-4-12-23-22(20)30-18-5-2-1-3-6-18)17-8-10-19(11-9-17)31(27,28)25-13-15-29-16-14-25/h1-12H,13-16H2,(H,24,26).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide has a molecular weight of 439.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 43068510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).