N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide

C22H23N5O5S2 — CID 22027960

IUPACN-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)Nc3nc(CC(=O)N4CCOCC4)ns3)cc2)c1
InChIInChI=1S/C22H23N5O5S2/c1-15(28)23-18-4-2-3-17(13-18)16-5-7-19(8-6-16)34(30,31)26-22-24-20(25-33-22)14-21(29)27-9-11-32-12-10-27/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyFNWQYTBIAUWQRC-UHFFFAOYSA-N
MW501.59 g/mol
LogP2.37
Rot. Bonds7

About N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide

N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide (PubChem CID 22027960) has the molecular formula C22H23N5O5S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
PubChem CID22027960
Molecular FormulaC22H23N5O5S2
Molecular Weight501.59 g/mol
Exact Mass501.11
IUPAC NameN-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)Nc3nc(CC(=O)N4CCOCC4)ns3)cc2)c1
InChIInChI=1S/C22H23N5O5S2/c1-15(28)23-18-4-2-3-17(13-18)16-5-7-19(8-6-16)34(30,31)26-22-24-20(25-33-22)14-21(29)27-9-11-32-12-10-27/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyFNWQYTBIAUWQRC-UHFFFAOYSA-N
XLogP2.37
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
CID 22028076
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide
CID 6491912
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108782871

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide (CID 22027960) is N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)Nc3nc(CC(=O)N4CCOCC4)ns3)cc2)c1.
What is the InChIKey of N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide?
The InChIKey is FNWQYTBIAUWQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S2/c1-15(28)23-18-4-2-3-17(13-18)16-5-7-19(8-6-16)34(30,31)26-22-24-20(25-33-22)14-21(29)27-9-11-32-12-10-27/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide?
N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide has a molecular weight of 501.59 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 22027960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).