N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide

C17H21FN4O6S2 — CID 76631190

IUPACN-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide
SMILESCN(CCO)S(=O)(=O)c1ccc(C(=NOCCCO)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C17H21FN4O6S2/c1-22(7-9-24)30(26,27)13-5-3-12(4-6-13)15(21-28-10-2-8-23)16(25)20-17-19-11-14(18)29-17/h3-6,11,23-24H,2,7-10H2,1H3,(H,19,20,25)
InChIKeyUFONVRFDFRWQHJ-UHFFFAOYSA-N
MW460.51 g/mol
LogP0.64
Rot. Bonds11

About N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide

N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide (PubChem CID 76631190) has the molecular formula C17H21FN4O6S2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide
PubChem CID76631190
Molecular FormulaC17H21FN4O6S2
Molecular Weight460.51 g/mol
Exact Mass460.09
IUPAC NameN-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide
SMILESCN(CCO)S(=O)(=O)c1ccc(C(=NOCCCO)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C17H21FN4O6S2/c1-22(7-9-24)30(26,27)13-5-3-12(4-6-13)15(21-28-10-2-8-23)16(25)20-17-19-11-14(18)29-17/h3-6,11,23-24H,2,7-10H2,1H3,(H,19,20,25)
InChIKeyUFONVRFDFRWQHJ-UHFFFAOYSA-N
XLogP0.64
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91409632
2-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetamide
CID 91606387
(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide
CID 143392836
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91491546
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 74384019
(2E)-2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 24999981
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 76630526
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 76631383
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91306229
2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91142425
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide?
The IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide (CID 76631190) is N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide.
What is the SMILES notation for N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide?
The canonical SMILES for N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide is CN(CCO)S(=O)(=O)c1ccc(C(=NOCCCO)C(=O)Nc2ncc(F)s2)cc1.
What is the InChIKey of N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide?
The InChIKey is UFONVRFDFRWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O6S2/c1-22(7-9-24)30(26,27)13-5-3-12(4-6-13)15(21-28-10-2-8-23)16(25)20-17-19-11-14(18)29-17/h3-6,11,23-24H,2,7-10H2,1H3,(H,19,20,25).
What are the key properties of N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide?
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide has a molecular weight of 460.51 g/mol, XLogP of 0.64, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide is sourced from PubChem (CID 76631190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).