(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide

C28H24N2O3 — CID 2422829

IUPAC(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
SMILESCc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H24N2O3/c1-18-9-13-21(14-10-18)25-24(17-29)28(33-26(25)22-15-11-19(2)12-16-22)30-27(31)20(3)32-23-7-5-4-6-8-23/h4-16,20H,1-3H3,(H,30,31)/t20-/m0/s1
InChIKeyIWECEVKYRJSXQW-FQEVSTJZSA-N
MW436.51 g/mol
LogP6.51
Rot. Bonds6

About (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide

(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide (PubChem CID 2422829) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
PubChem CID2422829
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
SMILESCc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H24N2O3/c1-18-9-13-21(14-10-18)25-24(17-29)28(33-26(25)22-15-11-19(2)12-16-22)30-27(31)20(3)32-23-7-5-4-6-8-23/h4-16,20H,1-3H3,(H,30,31)/t20-/m0/s1
InChIKeyIWECEVKYRJSXQW-FQEVSTJZSA-N
XLogP6.51
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422827
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 23827034
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide (CID 2422829) is (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide is Cc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide?
The InChIKey is IWECEVKYRJSXQW-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-18-9-13-21(14-10-18)25-24(17-29)28(33-26(25)22-15-11-19(2)12-16-22)30-27(31)20(3)32-23-7-5-4-6-8-23/h4-16,20H,1-3H3,(H,30,31)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide?
(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide has a molecular weight of 436.51 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 2422829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).