N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C23H21N3O4S2 — CID 16827444

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-15-8-10-17(11-9-15)32(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-31-23)21-13-16-5-2-3-7-20(16)30-21/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,24,25,27)
InChIKeyNJPLELFODXPMIQ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16827444) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16827444
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-15-8-10-17(11-9-15)32(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-31-23)21-13-16-5-2-3-7-20(16)30-21/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,24,25,27)
InChIKeyNJPLELFODXPMIQ-UHFFFAOYSA-N
XLogP4.66
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827708
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
1-(4-methylphenyl)sulfonyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 16827331
1-(4-methylphenyl)sulfonyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 16827355
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 40850830
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827760
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 39189814
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3942275
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2322204

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 16827444) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is NJPLELFODXPMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-15-8-10-17(11-9-15)32(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-31-23)21-13-16-5-2-3-7-20(16)30-21/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16827444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).