5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide

C24H18N2O5S2 — CID 55489815

IUPAC5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C24H18N2O5S2/c27-23(20-12-11-17(31-20)15-33(28,29)18-6-2-1-3-7-18)25-14-16-10-13-21(30-16)24-26-19-8-4-5-9-22(19)32-24/h1-13H,14-15H2,(H,25,27)
InChIKeySOPCZAIRFNDCTC-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.05
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide (PubChem CID 55489815) has the molecular formula C24H18N2O5S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
PubChem CID55489815
Molecular FormulaC24H18N2O5S2
Molecular Weight478.55 g/mol
Exact Mass478.07
IUPAC Name5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C24H18N2O5S2/c27-23(20-12-11-17(31-20)15-33(28,29)18-6-2-1-3-7-18)25-14-16-10-13-21(30-16)24-26-19-8-4-5-9-22(19)32-24/h1-13H,14-15H2,(H,25,27)
InChIKeySOPCZAIRFNDCTC-UHFFFAOYSA-N
XLogP5.05
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide (CID 55489815) is 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide is O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is SOPCZAIRFNDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5S2/c27-23(20-12-11-17(31-20)15-33(28,29)18-6-2-1-3-7-18)25-14-16-10-13-21(30-16)24-26-19-8-4-5-9-22(19)32-24/h1-13H,14-15H2,(H,25,27).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55489815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).