N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide

C17H17N3O3S2 — CID 38284178

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1
InChIInChI=1S/C17H17N3O3S2/c1-2-19-25(22,23)13-7-5-6-12(10-13)17(21)18-11-16-20-14-8-3-4-9-15(14)24-16/h3-10,19H,2,11H2,1H3,(H,18,21)
InChIKeyRVLGEFFYOIFGCC-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.52
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide (PubChem CID 38284178) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
PubChem CID38284178
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1
InChIInChI=1S/C17H17N3O3S2/c1-2-19-25(22,23)13-7-5-6-12(10-13)17(21)18-11-16-20-14-8-3-4-9-15(14)24-16/h3-10,19H,2,11H2,1H3,(H,18,21)
InChIKeyRVLGEFFYOIFGCC-UHFFFAOYSA-N
XLogP2.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 38136843
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18110845
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
CID 55768437
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
CID 38135778
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
N-(1,3-benzothiazol-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24543349

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide (CID 38284178) is N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide?
The InChIKey is RVLGEFFYOIFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-19-25(22,23)13-7-5-6-12(10-13)17(21)18-11-16-20-14-8-3-4-9-15(14)24-16/h3-10,19H,2,11H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 38284178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).