4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

C23H21N3O4S2 — CID 43947585

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2ccccc21
InChIInChI=1S/C23H21N3O4S2/c1-3-14-26-20-8-4-5-9-21(20)31-23(26)24-22(27)17-10-12-19(13-11-17)32(28,29)25(2)16-18-7-6-15-30-18/h3-13,15H,1,14,16H2,2H3/b24-23-
InChIKeyPVLYEULOBQJGLA-VHXPQNKSSA-N
MW467.57 g/mol
LogP4.04
Rot. Bonds7

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43947585) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43947585
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2ccccc21
InChIInChI=1S/C23H21N3O4S2/c1-3-14-26-20-8-4-5-9-21(20)31-23(26)24-22(27)17-10-12-19(13-11-17)32(28,29)25(2)16-18-7-6-15-30-18/h3-13,15H,1,14,16H2,2H3/b24-23-
InChIKeyPVLYEULOBQJGLA-VHXPQNKSSA-N
XLogP4.04
TPSA84.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947586
4-propan-2-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41148907
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947598
4-ethylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553235
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947597
ethyl 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 3650493
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4151119
4-piperidin-1-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4574668
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947578
4-[benzyl(methyl)sulfamoyl]-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944555
4-[butyl(methyl)sulfamoyl]-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152728
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 18572808

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43947585) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide is C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)sc2ccccc21.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is PVLYEULOBQJGLA-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-3-14-26-20-8-4-5-9-21(20)31-23(26)24-22(27)17-10-12-19(13-11-17)32(28,29)25(2)16-18-7-6-15-30-18/h3-13,15H,1,14,16H2,2H3/b24-23-.
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43947585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).