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

C32H34Cl3N5O5S — CID 59134159

IUPACN-[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
SMILESCC(C)N1CC2N(C(=O)C(NC(=O)c3ccc(N(C)C)cc3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C32H34Cl3N5O5S/c1-19(2)38-18-29-39(46(44,45)28-14-11-23(34)16-25(28)35)17-26(36-30(41)21-7-12-24(13-8-21)37(3)4)31(42)40(29)27(32(38)43)15-20-5-9-22(33)10-6-20/h5-14,16,19,26-27,29H,15,17-18H2,1-4H3,(H,36,41)
InChIKeyHHSXTDJUZSTXBP-UHFFFAOYSA-N
MW707.08 g/mol
LogP4.53
Rot. Bonds8

About 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

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 (PubChem CID 59134159) has the molecular formula C32H34Cl3N5O5S and a molecular weight of 707.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59134159
Molecular FormulaC32H34Cl3N5O5S
Molecular Weight707.08 g/mol
Exact Mass705.13
IUPAC NameN-[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
SMILESCC(C)N1CC2N(C(=O)C(NC(=O)c3ccc(N(C)C)cc3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C32H34Cl3N5O5S/c1-19(2)38-18-29-39(46(44,45)28-14-11-23(34)16-25(28)35)17-26(36-30(41)21-7-12-24(13-8-21)37(3)4)31(42)40(29)27(32(38)43)15-20-5-9-22(33)10-6-20/h5-14,16,19,26-27,29H,15,17-18H2,1-4H3,(H,36,41)
InChIKeyHHSXTDJUZSTXBP-UHFFFAOYSA-N
XLogP4.53
TPSA110.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500707.08
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2N(C(=O)C(NC(=O)c3ccc(N(C)C)cc3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 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?
The InChIKey is HHSXTDJUZSTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl3N5O5S/c1-19(2)38-18-29-39(46(44,45)28-14-11-23(34)16-25(28)35)17-26(36-30(41)21-7-12-24(13-8-21)37(3)4)31(42)40(29)27(32(38)43)15-20-5-9-22(33)10-6-20/h5-14,16,19,26-27,29H,15,17-18H2,1-4H3,(H,36,41).
What are the key properties of 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?
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 has a molecular weight of 707.08 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59134159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).