(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C18H22N3O5S+ — CID 8773605

IUPAC(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[n+]1cccc(O)c1
InChIInChI=1S/C18H21N3O5S/c1-14(20-8-2-3-16(22)13-20)18(23)19-15-4-6-17(7-5-15)27(24,25)21-9-11-26-12-10-21/h2-8,13-14H,9-12H2,1H3,(H-,19,22,23)/p+1/t14-/m1/s1
InChIKeyYSFSXMHOWMPPJU-CQSZACIVSA-O
MW392.46 g/mol
LogP0.90
Rot. Bonds5

About (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 8773605) has the molecular formula C18H22N3O5S+ and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID8773605
Molecular FormulaC18H22N3O5S+
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[n+]1cccc(O)c1
InChIInChI=1S/C18H21N3O5S/c1-14(20-8-2-3-16(22)13-20)18(23)19-15-4-6-17(7-5-15)27(24,25)21-9-11-26-12-10-21/h2-8,13-14H,9-12H2,1H3,(H-,19,22,23)/p+1/t14-/m1/s1
InChIKeyYSFSXMHOWMPPJU-CQSZACIVSA-O
XLogP0.90
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8773502
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 8863476
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 8830923
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8876908
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43018790
(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 8827750
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 8773605) is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[n+]1cccc(O)c1.
What is the InChIKey of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YSFSXMHOWMPPJU-CQSZACIVSA-O. The full InChI is InChI=1S/C18H21N3O5S/c1-14(20-8-2-3-16(22)13-20)18(23)19-15-4-6-17(7-5-15)27(24,25)21-9-11-26-12-10-21/h2-8,13-14H,9-12H2,1H3,(H-,19,22,23)/p+1/t14-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 8773605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).