3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

C23H25NO5S — CID 26010955

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C23H25NO5S/c1-16(17-6-12-21(13-7-17)30(3,26)27)24-23(25)15-11-20-10-14-22(29-20)18-4-8-19(28-2)9-5-18/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyOIGFUKWHQLAFEB-MRXNPFEDSA-N
MW427.52 g/mol
LogP4.17
Rot. Bonds8

About 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 26010955) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID26010955
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C23H25NO5S/c1-16(17-6-12-21(13-7-17)30(3,26)27)24-23(25)15-11-20-10-14-22(29-20)18-4-8-19(28-2)9-5-18/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyOIGFUKWHQLAFEB-MRXNPFEDSA-N
XLogP4.17
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921818
N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921779
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165753
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24597912
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26958270
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524957
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 26010955) is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is OIGFUKWHQLAFEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-16(17-6-12-21(13-7-17)30(3,26)27)24-23(25)15-11-20-10-14-22(29-20)18-4-8-19(28-2)9-5-18/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 427.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 26010955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).