3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C20H25N3O4S — CID 2537367

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccccn1
InChIInChI=1S/C20H25N3O4S/c24-20(22-12-10-18-3-1-2-11-21-18)9-6-17-4-7-19(8-5-17)28(25,26)23-13-15-27-16-14-23/h1-5,7-8,11H,6,9-10,12-16H2,(H,22,24)
InChIKeyAJAYZRWECOUUAT-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.39
Rot. Bonds8

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 2537367) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID2537367
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccccn1
InChIInChI=1S/C20H25N3O4S/c24-20(22-12-10-18-3-1-2-11-21-18)9-6-17-4-7-19(8-5-17)28(25,26)23-13-15-27-16-14-23/h1-5,7-8,11H,6,9-10,12-16H2,(H,22,24)
InChIKeyAJAYZRWECOUUAT-UHFFFAOYSA-N
XLogP1.39
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
Sulfonamide deriv., 7i
CID 44520905
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3888077
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-benzenesulfonamide
CID 14960366
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50913283
1-(4-Morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610246
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610365
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 1006973

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 2537367) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccccn1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is AJAYZRWECOUUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-20(22-12-10-18-3-1-2-11-21-18)9-6-17-4-7-19(8-5-17)28(25,26)23-13-15-27-16-14-23/h1-5,7-8,11H,6,9-10,12-16H2,(H,22,24).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 403.50 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 2537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).