3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide

C30H33N5O5S — CID 69122806

IUPAC3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(CC3CCCC3)C(N)=O)c2)cc(OC)c1
InChIInChI=1S/C30H33N5O5S/c1-39-22-16-21(17-23(18-22)40-2)32-29-30(34-27-13-6-5-12-26(27)33-29)35-41(37,38)24-11-7-10-20(15-24)25(28(31)36)14-19-8-3-4-9-19/h5-7,10-13,15-19,25H,3-4,8-9,14H2,1-2H3,(H2,31,36)(H,32,33)(H,34,35)
InChIKeyJULAVGKLXINRQC-UHFFFAOYSA-N
MW575.69 g/mol
LogP5.34
Rot. Bonds11

About 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide

3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide (PubChem CID 69122806) has the molecular formula C30H33N5O5S and a molecular weight of 575.69 g/mol. Its IUPAC name is 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
PubChem CID69122806
Molecular FormulaC30H33N5O5S
Molecular Weight575.69 g/mol
Exact Mass575.22
IUPAC Name3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(CC3CCCC3)C(N)=O)c2)cc(OC)c1
InChIInChI=1S/C30H33N5O5S/c1-39-22-16-21(17-23(18-22)40-2)32-29-30(34-27-13-6-5-12-26(27)33-29)35-41(37,38)24-11-7-10-20(15-24)25(28(31)36)14-19-8-3-4-9-19/h5-7,10-13,15-19,25H,3-4,8-9,14H2,1-2H3,(H2,31,36)(H,32,33)(H,34,35)
InChIKeyJULAVGKLXINRQC-UHFFFAOYSA-N
XLogP5.34
TPSA145.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.69
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide (CID 69122806) is 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(CC3CCCC3)C(N)=O)c2)cc(OC)c1.
What is the InChIKey of 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide?
The InChIKey is JULAVGKLXINRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5S/c1-39-22-16-21(17-23(18-22)40-2)32-29-30(34-27-13-6-5-12-26(27)33-29)35-41(37,38)24-11-7-10-20(15-24)25(28(31)36)14-19-8-3-4-9-19/h5-7,10-13,15-19,25H,3-4,8-9,14H2,1-2H3,(H2,31,36)(H,32,33)(H,34,35).
What are the key properties of 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide?
3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide has a molecular weight of 575.69 g/mol, XLogP of 5.34, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 69122806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).