3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide

C23H21N3O5S2 — CID 55489306

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-15(27)16-6-9-18(10-7-16)33(29,30)25-13-12-22(28)24-14-17-8-11-20(31-17)23-26-19-4-2-3-5-21(19)32-23/h2-11,25H,12-14H2,1H3,(H,24,28)
InChIKeyJGUHBADXNABTFH-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.74
Rot. Bonds9

About 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide (PubChem CID 55489306) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide
PubChem CID55489306
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-15(27)16-6-9-18(10-7-16)33(29,30)25-13-12-22(28)24-14-17-8-11-20(31-17)23-26-19-4-2-3-5-21(19)32-23/h2-11,25H,12-14H2,1H3,(H,24,28)
InChIKeyJGUHBADXNABTFH-UHFFFAOYSA-N
XLogP3.74
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide 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

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-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
N-(1,3-benzothiazol-2-ylmethyl)-3-[(4-bromophenyl)sulfonylamino]propanamide
CID 31100943
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52545467
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46464153
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24586287
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55489731
1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16582038
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46455684
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55489899
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55686121

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide (CID 55489306) is 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide?
The InChIKey is JGUHBADXNABTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-15(27)16-6-9-18(10-7-16)33(29,30)25-13-12-22(28)24-14-17-8-11-20(31-17)23-26-19-4-2-3-5-21(19)32-23/h2-11,25H,12-14H2,1H3,(H,24,28).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide has a molecular weight of 483.57 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 55489306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).