(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C23H23NO6 — CID 54587352

IUPAC(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23NO6/c1-26-17-7-5-14(6-8-17)21-20(15-9-10-30-13-15)23(25)24(21)16-11-18(27-2)22(29-4)19(12-16)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1
InChIKeyKRQMXQFGISLTHJ-BPGUCPLFSA-N
MW409.44 g/mol
LogP4.19
Rot. Bonds7

About (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 54587352) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID54587352
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23NO6/c1-26-17-7-5-14(6-8-17)21-20(15-9-10-30-13-15)23(25)24(21)16-11-18(27-2)22(29-4)19(12-16)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1
InChIKeyKRQMXQFGISLTHJ-BPGUCPLFSA-N
XLogP4.19
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 67240889
(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 54585323
4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 67243271
3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 53246000
(3S,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162644469
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 58007068
(3R)-3-chloro-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 155810771
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
(2S)-2-amino-N-[2-methoxy-5-[(2R,3S)-4-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl]-3-phenylpropanamide
CID 71654416

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 54587352) is (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2C(c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is KRQMXQFGISLTHJ-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H23NO6/c1-26-17-7-5-14(6-8-17)21-20(15-9-10-30-13-15)23(25)24(21)16-11-18(27-2)22(29-4)19(12-16)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1.
What are the key properties of (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 409.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(furan-3-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54587352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).