2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

C25H25N3O5S2 — CID 18861351

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)coc2c1
InChIInChI=1S/C25H25N3O5S2/c1-16-11-17(2)24-19(14-33-22(24)12-16)13-23(29)27-25-26-21(15-34-25)18-3-5-20(6-4-18)35(30,31)28-7-9-32-10-8-28/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,27,29)
InChIKeyCIDSFBIXXFWBQD-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.38
Rot. Bonds6

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18861351) has the molecular formula C25H25N3O5S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18861351
Molecular FormulaC25H25N3O5S2
Molecular Weight511.63 g/mol
Exact Mass511.12
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)coc2c1
InChIInChI=1S/C25H25N3O5S2/c1-16-11-17(2)24-19(14-33-22(24)12-16)13-23(29)27-25-26-21(15-34-25)18-3-5-20(6-4-18)35(30,31)28-7-9-32-10-8-28/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,27,29)
InChIKeyCIDSFBIXXFWBQD-UHFFFAOYSA-N
XLogP4.38
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18861510
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861350
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2598479
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (CID 18861351) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c2c(CC(=O)Nc3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CIDSFBIXXFWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S2/c1-16-11-17(2)24-19(14-33-22(24)12-16)13-23(29)27-25-26-21(15-34-25)18-3-5-20(6-4-18)35(30,31)28-7-9-32-10-8-28/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,27,29).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 511.63 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18861351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).