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

C23H21N3O5S2 — CID 16827708

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-32-23)21-13-15-5-2-3-7-20(15)31-21/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,24,25,27)
InChIKeyYNAYYLKASLMPQC-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.36
Rot. Bonds6

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16827708) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16827708
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-32-23)21-13-15-5-2-3-7-20(15)31-21/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,24,25,27)
InChIKeyYNAYYLKASLMPQC-UHFFFAOYSA-N
XLogP4.36
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827444
1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16862826
(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53488280
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25319309
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 16827708) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(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-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is YNAYYLKASLMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-6-19(26)22(27)25-23-24-18(14-32-23)21-13-15-5-2-3-7-20(15)31-21/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-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16827708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).