N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

C25H27N3O5S — CID 118624559

IUPACN-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C25H27N3O5S/c1-18(2)27-13-14-28-20(16-26-34(31,32)21-11-7-4-8-12-21)15-22(29)24(23(28)25(27)30)33-17-19-9-5-3-6-10-19/h3-12,15,18,26H,13-14,16-17H2,1-2H3
InChIKeyFLMUXWCRULQNNV-UHFFFAOYSA-N
MW481.57 g/mol
LogP2.77
Rot. Bonds8

About N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (PubChem CID 118624559) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
PubChem CID118624559
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C25H27N3O5S/c1-18(2)27-13-14-28-20(16-26-34(31,32)21-11-7-4-8-12-21)15-22(29)24(23(28)25(27)30)33-17-19-9-5-3-6-10-19/h3-12,15,18,26H,13-14,16-17H2,1-2H3
InChIKeyFLMUXWCRULQNNV-UHFFFAOYSA-N
XLogP2.77
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (CID 118624559) is N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is CC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is FLMUXWCRULQNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18(2)27-13-14-28-20(16-26-34(31,32)21-11-7-4-8-12-21)15-22(29)24(23(28)25(27)30)33-17-19-9-5-3-6-10-19/h3-12,15,18,26H,13-14,16-17H2,1-2H3.
What are the key properties of N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 118624559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).