5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide

C22H19N3O4S — CID 46441275

IUPAC5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1
InChIInChI=1S/C22H19N3O4S/c1-2-23-20(26)13-28-15-7-5-6-14(12-15)24-21(27)17-10-11-18(29-17)22-25-16-8-3-4-9-19(16)30-22/h3-12H,2,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyQXZNYLRLTLNTHS-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.32
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46441275) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID46441275
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1
InChIInChI=1S/C22H19N3O4S/c1-2-23-20(26)13-28-15-7-5-6-14(12-15)24-21(27)17-10-11-18(29-17)22-25-16-8-3-4-9-19(16)30-22/h3-12H,2,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyQXZNYLRLTLNTHS-UHFFFAOYSA-N
XLogP4.32
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide 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

5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 46461021
[2-(3-methylanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743974
N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55531872
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55728865
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 60517836
5-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 9083262
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
N-[3-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409447

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46441275) is 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is QXZNYLRLTLNTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-2-23-20(26)13-28-15-7-5-6-14(12-15)24-21(27)17-10-11-18(29-17)22-25-16-8-3-4-9-19(16)30-22/h3-12H,2,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46441275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).