N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H17N3O4S2 — CID 78847259

IUPACN-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C20H17N3O4S2/c24-19(21-12-13-22-29(25,26)14-6-2-1-3-7-14)16-10-11-17(27-16)20-23-15-8-4-5-9-18(15)28-20/h1-11,22H,12-13H2,(H,21,24)
InChIKeySVJCDSDYKLDWPB-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.26
Rot. Bonds7

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

N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 78847259) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID78847259
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C20H17N3O4S2/c24-19(21-12-13-22-29(25,26)14-6-2-1-3-7-14)16-10-11-17(27-16)20-23-15-8-4-5-9-18(15)28-20/h1-11,22H,12-13H2,(H,21,24)
InChIKeySVJCDSDYKLDWPB-UHFFFAOYSA-N
XLogP3.26
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
CID 112767789
5-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 9083262
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 78847259) is N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is SVJCDSDYKLDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c24-19(21-12-13-22-29(25,26)14-6-2-1-3-7-14)16-10-11-17(27-16)20-23-15-8-4-5-9-18(15)28-20/h1-11,22H,12-13H2,(H,21,24).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 78847259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).