[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide

C24H27N3O4S — CID 123714394

IUPAC[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide
SMILESCC1CN(C(=O)C2CC2)c2cc(-c3ccc(CS(N)(=O)=O)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C24H27N3O4S/c1-15-13-26(23(28)18-6-7-18)22-12-20(10-11-21(22)27(15)24(29)19-8-9-19)17-4-2-16(3-5-17)14-32(25,30)31/h2-5,10-12,15,18-19H,6-9,13-14H2,1H3,(H2,25,30,31)
InChIKeyGDDBKJKTUXPDLV-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.03
Rot. Bonds5

About [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide

[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide (PubChem CID 123714394) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide
PubChem CID123714394
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide
SMILESCC1CN(C(=O)C2CC2)c2cc(-c3ccc(CS(N)(=O)=O)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C24H27N3O4S/c1-15-13-26(23(28)18-6-7-18)22-12-20(10-11-21(22)27(15)24(29)19-8-9-19)17-4-2-16(3-5-17)14-32(25,30)31/h2-5,10-12,15,18-19H,6-9,13-14H2,1H3,(H2,25,30,31)
InChIKeyGDDBKJKTUXPDLV-UHFFFAOYSA-N
XLogP3.03
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide (CID 123714394) is [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide is CC1CN(C(=O)C2CC2)c2cc(-c3ccc(CS(N)(=O)=O)cc3)ccc2N1C(=O)C1CC1.
What is the InChIKey of [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide?
The InChIKey is GDDBKJKTUXPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-13-26(23(28)18-6-7-18)22-12-20(10-11-21(22)27(15)24(29)19-8-9-19)17-4-2-16(3-5-17)14-32(25,30)31/h2-5,10-12,15,18-19H,6-9,13-14H2,1H3,(H2,25,30,31).
What are the key properties of [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide?
[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide has a molecular weight of 453.56 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 123714394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).