N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide

C28H30Cl4N4O5S — CID 59134269

IUPACN-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide
SMILESCC(C)N1CC2N(C(=O)C(NC(=O)C3CCC3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C28H30Cl4N4O5S/c1-15(2)34-14-25-35(42(40,41)24-9-7-18(29)12-21(24)32)13-22(33-26(37)17-4-3-5-17)27(38)36(25)23(28(34)39)11-16-6-8-19(30)20(31)10-16/h6-10,12,15,17,22-23,25H,3-5,11,13-14H2,1-2H3,(H,33,37)
InChIKeyJLPAYOIIXHNESP-UHFFFAOYSA-N
MW676.45 g/mol
LogP4.61
Rot. Bonds7

About N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide

N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide (PubChem CID 59134269) has the molecular formula C28H30Cl4N4O5S and a molecular weight of 676.45 g/mol. Its IUPAC name is N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide
PubChem CID59134269
Molecular FormulaC28H30Cl4N4O5S
Molecular Weight676.45 g/mol
Exact Mass674.07
IUPAC NameN-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide
SMILESCC(C)N1CC2N(C(=O)C(NC(=O)C3CCC3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C28H30Cl4N4O5S/c1-15(2)34-14-25-35(42(40,41)24-9-7-18(29)12-21(24)32)13-22(33-26(37)17-4-3-5-17)27(38)36(25)23(28(34)39)11-16-6-8-19(30)20(31)10-16/h6-10,12,15,17,22-23,25H,3-5,11,13-14H2,1-2H3,(H,33,37)
InChIKeyJLPAYOIIXHNESP-UHFFFAOYSA-N
XLogP4.61
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclohexanecarboxamide
CID 59134008
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrrolidine-2-carboxamide
CID 59134101
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-(2,2-difluoroethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide
CID 59134077
1-(2-amino-3-methylbutanoyl)-N-[1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrrolidine-2-carboxamide
CID 11672217
N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-(pyridin-3-ylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrrolidine-2-carboxamide
CID 59134011
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 59134259
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]-4-(dimethylamino)benzamide
CID 59134159
3-amino-6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 59134252
N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide
CID 59134135
3-amino-1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 67338825
N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide
CID 59134202
6-[(3-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3-pyrrolidin-1-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 59134117

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide (CID 59134269) is N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide is CC(C)N1CC2N(C(=O)C(NC(=O)C3CCC3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide?
The InChIKey is JLPAYOIIXHNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl4N4O5S/c1-15(2)34-14-25-35(42(40,41)24-9-7-18(29)12-21(24)32)13-22(33-26(37)17-4-3-5-17)27(38)36(25)23(28(34)39)11-16-6-8-19(30)20(31)10-16/h6-10,12,15,17,22-23,25H,3-5,11,13-14H2,1-2H3,(H,33,37).
What are the key properties of N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide?
N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide has a molecular weight of 676.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 59134269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).