N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H17N3O4S3 — CID 55489731

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17N3O4S3/c1-22(29(24,25)18-7-4-10-27-18)12-17(23)20-11-13-8-9-15(26-13)19-21-14-5-2-3-6-16(14)28-19/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyYYSKTHCVERNEFX-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.55
Rot. Bonds7

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 55489731) has the molecular formula C19H17N3O4S3 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID55489731
Molecular FormulaC19H17N3O4S3
Molecular Weight447.56 g/mol
Exact Mass447.04
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17N3O4S3/c1-22(29(24,25)18-7-4-10-27-18)12-17(23)20-11-13-8-9-15(26-13)19-21-14-5-2-3-6-16(14)28-19/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyYYSKTHCVERNEFX-UHFFFAOYSA-N
XLogP3.55
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide with MolForge

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24586253
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46455718
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24591958
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
2,2,2-trifluoroethyl N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]carbamate
CID 78905322
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24586287
3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide
CID 55489306

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 55489731) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is YYSKTHCVERNEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S3/c1-22(29(24,25)18-7-4-10-27-18)12-17(23)20-11-13-8-9-15(26-13)19-21-14-5-2-3-6-16(14)28-19/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 447.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55489731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).