N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

C23H26N4O6S2 — CID 121467246

IUPACN-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C23H26N4O6S2/c1-14-21(34-23(25-14)26-20(29)11-15-7-9-33-10-8-15)16-12-19(22(32-2)24-13-16)35(30,31)27-17-3-5-18(28)6-4-17/h3-6,12-13,15,27-28H,7-11H2,1-2H3,(H,25,26,29)
InChIKeyRRXFMICRUSOWKZ-UHFFFAOYSA-N
MW518.62 g/mol
LogP3.78
Rot. Bonds8

About N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 121467246) has the molecular formula C23H26N4O6S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID121467246
Molecular FormulaC23H26N4O6S2
Molecular Weight518.62 g/mol
Exact Mass518.13
IUPAC NameN-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C23H26N4O6S2/c1-14-21(34-23(25-14)26-20(29)11-15-7-9-33-10-8-15)16-12-19(22(32-2)24-13-16)35(30,31)27-17-3-5-18(28)6-4-17/h3-6,12-13,15,27-28H,7-11H2,1-2H3,(H,25,26,29)
InChIKeyRRXFMICRUSOWKZ-UHFFFAOYSA-N
XLogP3.78
TPSA139.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (CID 121467246) is N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is COc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is RRXFMICRUSOWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S2/c1-14-21(34-23(25-14)26-20(29)11-15-7-9-33-10-8-15)16-12-19(22(32-2)24-13-16)35(30,31)27-17-3-5-18(28)6-4-17/h3-6,12-13,15,27-28H,7-11H2,1-2H3,(H,25,26,29).
What are the key properties of N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 518.62 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4-hydroxyphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 121467246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).