cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone

C25H24N2O5S — CID 118080085

IUPACcyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccco2)c2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C25H24N2O5S/c1-16-15-26(25(29)23-4-3-13-32-23)22-14-19(17-7-10-20(11-8-17)33(2,30)31)9-12-21(22)27(16)24(28)18-5-6-18/h3-4,7-14,16,18H,5-6,15H2,1-2H3/t16-/m0/s1
InChIKeySNISVGQABMWICJ-INIZCTEOSA-N
MW464.54 g/mol
LogP4.14
Rot. Bonds4

About cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone

cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 118080085) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID118080085
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Namecyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccco2)c2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C25H24N2O5S/c1-16-15-26(25(29)23-4-3-13-32-23)22-14-19(17-7-10-20(11-8-17)33(2,30)31)9-12-21(22)27(16)24(28)18-5-6-18/h3-4,7-14,16,18H,5-6,15H2,1-2H3/t16-/m0/s1
InChIKeySNISVGQABMWICJ-INIZCTEOSA-N
XLogP4.14
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone (CID 118080085) is cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone is C[C@H]1CN(C(=O)c2ccco2)c2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2N1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is SNISVGQABMWICJ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-16-15-26(25(29)23-4-3-13-32-23)22-14-19(17-7-10-20(11-8-17)33(2,30)31)9-12-21(22)27(16)24(28)18-5-6-18/h3-4,7-14,16,18H,5-6,15H2,1-2H3/t16-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone?
cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 118080085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).