3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C25H28N2O6S — CID 24524853

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H28N2O6S/c1-18-3-6-20(17-24(18)34(29,30)27-13-15-32-16-14-27)26-25(28)12-10-22-9-11-23(33-22)19-4-7-21(31-2)8-5-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,28)
InChIKeyIKXQTSKHVPFHOA-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.86
Rot. Bonds8

About 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24524853) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24524853
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H28N2O6S/c1-18-3-6-20(17-24(18)34(29,30)27-13-15-32-16-14-27)26-25(28)12-10-22-9-11-23(33-22)19-4-7-21(31-2)8-5-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,28)
InChIKeyIKXQTSKHVPFHOA-UHFFFAOYSA-N
XLogP3.86
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 24524853) is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is IKXQTSKHVPFHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18-3-6-20(17-24(18)34(29,30)27-13-15-32-16-14-27)26-25(28)12-10-22-9-11-23(33-22)19-4-7-21(31-2)8-5-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,28).
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 484.57 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24524853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).