N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide

C18H19N3O4S2 — CID 87563994

IUPACN-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(S(=O)(=O)N(C)CCO)c3)cc2s1
InChIInChI=1S/C18H19N3O4S2/c1-12(23)19-18-20-16-7-6-14(11-17(16)26-18)13-4-3-5-15(10-13)27(24,25)21(2)8-9-22/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,20,23)
InChIKeyNGFBSTLWYMHSHN-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.53
Rot. Bonds6

About N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 87563994) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID87563994
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(S(=O)(=O)N(C)CCO)c3)cc2s1
InChIInChI=1S/C18H19N3O4S2/c1-12(23)19-18-20-16-7-6-14(11-17(16)26-18)13-4-3-5-15(10-13)27(24,25)21(2)8-9-22/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,20,23)
InChIKeyNGFBSTLWYMHSHN-UHFFFAOYSA-N
XLogP2.53
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4681786
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
1-ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide (CID 87563994) is N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cccc(S(=O)(=O)N(C)CCO)c3)cc2s1.
What is the InChIKey of N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is NGFBSTLWYMHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12(23)19-18-20-16-7-6-14(11-17(16)26-18)13-4-3-5-15(10-13)27(24,25)21(2)8-9-22/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,20,23).
What are the key properties of N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 87563994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).