2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide

C23H23N3O6S — CID 139895013

IUPAC2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2/C=C/c2cc[n+]([O-])cc2)C(O)C(N)=O)cc1
InChIInChI=1S/C23H23N3O6S/c1-32-20-8-10-21(11-9-20)33(30,31)26(23(28)22(24)27)16-19-5-3-2-4-18(19)7-6-17-12-14-25(29)15-13-17/h2-15,23,28H,16H2,1H3,(H2,24,27)/b7-6+
InChIKeyDKFJDUWTPVFAQF-VOTSOKGWSA-N
MW469.52 g/mol
LogP1.49
Rot. Bonds9

About 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide

2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide (PubChem CID 139895013) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide
PubChem CID139895013
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Name2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2/C=C/c2cc[n+]([O-])cc2)C(O)C(N)=O)cc1
InChIInChI=1S/C23H23N3O6S/c1-32-20-8-10-21(11-9-20)33(30,31)26(23(28)22(24)27)16-19-5-3-2-4-18(19)7-6-17-12-14-25(29)15-13-17/h2-15,23,28H,16H2,1H3,(H2,24,27)/b7-6+
InChIKeyDKFJDUWTPVFAQF-VOTSOKGWSA-N
XLogP1.49
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide 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

N-(4-methoxyphenyl)sulfonyl-2-(4-methylpiperazin-1-yl)-N-[2-[2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
CID 69341477
(2R)-4-amino-2-[[2-[[[(1S)-3-amino-1-carboxy-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid
CID 154653225
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetic acid
CID 139894948
N-(4-methoxyphenyl)sulfonyl-N-[2-[(Z)-2-pyridin-4-ylethenyl]phenyl]acetamide
CID 167028467
tert-butyl 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetate
CID 139895016
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 170920269
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]anilino]acetic acid
CID 139895022
2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]acetonitrile
CID 170560531
N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 10272987
N-[2-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 139894958

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide?
The IUPAC name of 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide (CID 139895013) is 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide.
What is the SMILES notation for 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide?
The canonical SMILES for 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2/C=C/c2cc[n+]([O-])cc2)C(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide?
The InChIKey is DKFJDUWTPVFAQF-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-32-20-8-10-21(11-9-20)33(30,31)26(23(28)22(24)27)16-19-5-3-2-4-18(19)7-6-17-12-14-25(29)15-13-17/h2-15,23,28H,16H2,1H3,(H2,24,27)/b7-6+.
What are the key properties of 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide?
2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide has a molecular weight of 469.52 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]methyl]amino]acetamide is sourced from PubChem (CID 139895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).