N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C22H19N3O4S2 — CID 2322219

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H19N3O4S2/c26-21(15-7-9-17(10-8-15)31(27,28)25-11-3-4-12-25)24-22-23-18(14-30-22)20-13-16-5-1-2-6-19(16)29-20/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,24,26)
InChIKeyRPEANJSYOIYLSR-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.59
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2322219) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2322219
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H19N3O4S2/c26-21(15-7-9-17(10-8-15)31(27,28)25-11-3-4-12-25)24-22-23-18(14-30-22)20-13-16-5-1-2-6-19(16)29-20/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,24,26)
InChIKeyRPEANJSYOIYLSR-UHFFFAOYSA-N
XLogP4.59
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.59
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]-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
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
4-(azepan-1-ylsulfonyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3540717
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3433357
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16826893
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[bis(2-chloroethyl)sulfamoyl]benzamide
CID 2322200
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 16831528

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2322219) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RPEANJSYOIYLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c26-21(15-7-9-17(10-8-15)31(27,28)25-11-3-4-12-25)24-22-23-18(14-30-22)20-13-16-5-1-2-6-19(16)29-20/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,24,26).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 453.55 g/mol, XLogP of 4.59, 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]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2322219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).