4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide

C20H19FN4O4S2 — CID 41228817

IUPAC4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O4S2/c21-15-5-3-14(4-6-15)19(27)25-20-24-16(12-30-20)11-18(26)23-10-9-13-1-7-17(8-2-13)31(22,28)29/h1-8,12H,9-11H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
InChIKeyCNDOJNVCVKQZPK-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.08
Rot. Bonds8

About 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41228817) has the molecular formula C20H19FN4O4S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41228817
Molecular FormulaC20H19FN4O4S2
Molecular Weight462.53 g/mol
Exact Mass462.08
IUPAC Name4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O4S2/c21-15-5-3-14(4-6-15)19(27)25-20-24-16(12-30-20)11-18(26)23-10-9-13-1-7-17(8-2-13)31(22,28)29/h1-8,12H,9-11H2,(H,23,26)(H2,22,28,29)(H,24,25,27)
InChIKeyCNDOJNVCVKQZPK-UHFFFAOYSA-N
XLogP2.08
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497666
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 121038232
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
CID 42208627

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 41228817) is 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CNDOJNVCVKQZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S2/c21-15-5-3-14(4-6-15)19(27)25-20-24-16(12-30-20)11-18(26)23-10-9-13-1-7-17(8-2-13)31(22,28)29/h1-8,12H,9-11H2,(H,23,26)(H2,22,28,29)(H,24,25,27).
What are the key properties of 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).