N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide

C20H22N4O4S2 — CID 108782871

IUPACN-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14(25)21-16-3-5-17(6-4-16)30(26,27)23-20-22-18-7-2-15(12-19(18)29-20)13-24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyPTRJJOBZXBALFA-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.89
Rot. Bonds6

About N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 108782871) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID108782871
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14(25)21-16-3-5-17(6-4-16)30(26,27)23-20-22-18-7-2-15(12-19(18)29-20)13-24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyPTRJJOBZXBALFA-UHFFFAOYSA-N
XLogP2.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
N-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25041063
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 108782871) is N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)cc1.
What is the InChIKey of N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is PTRJJOBZXBALFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-14(25)21-16-3-5-17(6-4-16)30(26,27)23-20-22-18-7-2-15(12-19(18)29-20)13-24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108782871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).