2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

C25H24N4O7S2 — CID 25046162

IUPAC2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nc2c1
InChIInChI=1S/C25H24N4O7S2/c1-34-20-6-3-2-5-18(20)27-38(32,33)17-8-9-21-19(15-17)26-25(36-21)37-16-23(30)28-10-12-29(13-11-28)24(31)22-7-4-14-35-22/h2-9,14-15,27H,10-13,16H2,1H3
InChIKeyQHQIYVPZXGRDNE-UHFFFAOYSA-N
MW556.62 g/mol
LogP3.31
Rot. Bonds8

About 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide (PubChem CID 25046162) has the molecular formula C25H24N4O7S2 and a molecular weight of 556.62 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
PubChem CID25046162
Molecular FormulaC25H24N4O7S2
Molecular Weight556.62 g/mol
Exact Mass556.11
IUPAC Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nc2c1
InChIInChI=1S/C25H24N4O7S2/c1-34-20-6-3-2-5-18(20)27-38(32,33)17-8-9-21-19(15-17)26-25(36-21)37-16-23(30)28-10-12-29(13-11-28)24(31)22-7-4-14-35-22/h2-9,14-15,27H,10-13,16H2,1H3
InChIKeyQHQIYVPZXGRDNE-UHFFFAOYSA-N
XLogP3.31
TPSA135.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.62
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide with MolForge

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Related Compounds

N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2642267
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 16533268
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41274677
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41254514
2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25037684
N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25039293
N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 4689194
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 4998031
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16533327
ethyl 5-[2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2390272
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 4694006
2-[(1S)-1-cyanoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 8926890

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide (CID 25046162) is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nc2c1.
What is the InChIKey of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
The InChIKey is QHQIYVPZXGRDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7S2/c1-34-20-6-3-2-5-18(20)27-38(32,33)17-8-9-21-19(15-17)26-25(36-21)37-16-23(30)28-10-12-29(13-11-28)24(31)22-7-4-14-35-22/h2-9,14-15,27H,10-13,16H2,1H3.
What are the key properties of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide?
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide has a molecular weight of 556.62 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 25046162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).