N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C22H19N3O4S2 — CID 46474409

IUPACN-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)cs2)o1
InChIInChI=1S/C22H19N3O4S2/c1-15-10-11-20(29-15)22-24-18(14-30-22)13-21(26)23-16-6-5-7-17(12-16)25-31(27,28)19-8-3-2-4-9-19/h2-12,14,25H,13H2,1H3,(H,23,26)
InChIKeyLQBSXFCCWAJTFN-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.69
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46474409) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46474409
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)cs2)o1
InChIInChI=1S/C22H19N3O4S2/c1-15-10-11-20(29-15)22-24-18(14-30-22)13-21(26)23-16-6-5-7-17(12-16)25-31(27,28)19-8-3-2-4-9-19/h2-12,14,25H,13H2,1H3,(H,23,26)
InChIKeyLQBSXFCCWAJTFN-UHFFFAOYSA-N
XLogP4.69
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46456770
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 33290955
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
S-[4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529514
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46474409) is N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)cs2)o1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LQBSXFCCWAJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-15-10-11-20(29-15)22-24-18(14-30-22)13-21(26)23-16-6-5-7-17(12-16)25-31(27,28)19-8-3-2-4-9-19/h2-12,14,25H,13H2,1H3,(H,23,26).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46474409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).