2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide

C17H19N3O4S3 — CID 71843145

IUPAC2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCS(=O)(=O)Nc1ccc2nc(SCC(=O)N(C)Cc3ccco3)sc2c1
InChIInChI=1S/C17H19N3O4S3/c1-3-27(22,23)19-12-6-7-14-15(9-12)26-17(18-14)25-11-16(21)20(2)10-13-5-4-8-24-13/h4-9,19H,3,10-11H2,1-2H3
InChIKeyMWLBWGIQALPNAO-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.40
Rot. Bonds8

About 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 71843145) has the molecular formula C17H19N3O4S3 and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID71843145
Molecular FormulaC17H19N3O4S3
Molecular Weight425.56 g/mol
Exact Mass425.05
IUPAC Name2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCS(=O)(=O)Nc1ccc2nc(SCC(=O)N(C)Cc3ccco3)sc2c1
InChIInChI=1S/C17H19N3O4S3/c1-3-27(22,23)19-12-6-7-14-15(9-12)26-17(18-14)25-11-16(21)20(2)10-13-5-4-8-24-13/h4-9,19H,3,10-11H2,1-2H3
InChIKeyMWLBWGIQALPNAO-UHFFFAOYSA-N
XLogP3.40
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 71843191
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 29383733
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8000018
N-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]ethanesulfonamide
CID 71843150
N-[(2,5-dimethylphenyl)methyl]-2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 71830327
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51190944
N-(furan-2-ylmethyl)-N-methyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9221305
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 684732
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide
CID 2707132
N-[(2S)-butan-2-yl]-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 98370985
N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
CID 30153017
2-[[6-(benzenesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]-N-benzhydrylacetamide
CID 25038920

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 71843145) is 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is CCS(=O)(=O)Nc1ccc2nc(SCC(=O)N(C)Cc3ccco3)sc2c1.
What is the InChIKey of 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is MWLBWGIQALPNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S3/c1-3-27(22,23)19-12-6-7-14-15(9-12)26-17(18-14)25-11-16(21)20(2)10-13-5-4-8-24-13/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 425.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 71843145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).