2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide

C19H19ClFN5O4S2 — CID 123250626

IUPAC2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide
SMILESNC(=O)CNCCCc1ccccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl
InChIInChI=1S/C19H19ClFN5O4S2/c20-13-8-17(32(28,29)26-19-24-11-25-31-19)14(21)9-16(13)30-15-6-2-1-4-12(15)5-3-7-23-10-18(22)27/h1-2,4,6,8-9,11,23H,3,5,7,10H2,(H2,22,27)(H,24,25,26)
InChIKeyDBYZHZVXXHEKDZ-UHFFFAOYSA-N
MW499.98 g/mol
LogP2.93
Rot. Bonds11

About 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide

2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide (PubChem CID 123250626) has the molecular formula C19H19ClFN5O4S2 and a molecular weight of 499.98 g/mol. Its IUPAC name is 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide.

Molecular Properties

Compound Name2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide
PubChem CID123250626
Molecular FormulaC19H19ClFN5O4S2
Molecular Weight499.98 g/mol
Exact Mass499.06
IUPAC Name2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide
SMILESNC(=O)CNCCCc1ccccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl
InChIInChI=1S/C19H19ClFN5O4S2/c20-13-8-17(32(28,29)26-19-24-11-25-31-19)14(21)9-16(13)30-15-6-2-1-4-12(15)5-3-7-23-10-18(22)27/h1-2,4,6,8-9,11,23H,3,5,7,10H2,(H2,22,27)(H,24,25,26)
InChIKeyDBYZHZVXXHEKDZ-UHFFFAOYSA-N
XLogP2.93
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716293
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
1-[3-[5-chloro-2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propyl]-2-methylpiperidine-4-carboxylic acid
CID 142731516
3-[[4-[5-chloro-2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]-2-pyridinyl]methylamino]propanoic acid
CID 90460813
4-(8-aminooctylamino)-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 158367208
5-chloro-2-fluoro-4-[4-(hydroxyamino)butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258417
5-chloro-2-fluoro-4-[4-[2-(propylamino)ethylamino]butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258459
5-chloro-2-fluoro-4-[4-fluoro-2-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 57494823
4-[4-[[(2R)-azetidin-2-yl]methylamino]butylamino]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129251826
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719317
tert-butyl N-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-N-hydroxycarbamate
CID 170092063
4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141441697

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide?
The IUPAC name of 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide (CID 123250626) is 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide.
What is the SMILES notation for 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide?
The canonical SMILES for 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide is NC(=O)CNCCCc1ccccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl.
What is the InChIKey of 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide?
The InChIKey is DBYZHZVXXHEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O4S2/c20-13-8-17(32(28,29)26-19-24-11-25-31-19)14(21)9-16(13)30-15-6-2-1-4-12(15)5-3-7-23-10-18(22)27/h1-2,4,6,8-9,11,23H,3,5,7,10H2,(H2,22,27)(H,24,25,26).
What are the key properties of 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide?
2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide has a molecular weight of 499.98 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propylamino]acetamide is sourced from PubChem (CID 123250626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).