N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane

C42H64N10O8S2 — CID 158158408

IUPACN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane
SMILESC.C.CN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.CN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H29N5O4S.C20H27N5O4S.2CH4/c2*1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24;;/h6-9,15,26H,4-5,10-14H2,1-3H3;6-9,14-15H,4-5,10-13H2,1-3H3;2*1H4
InChIKeyFVYZBGOPDUKQJN-UHFFFAOYSA-N
MW901.17 g/mol
LogP1.80
Rot. Bonds14

About N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane

N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane (PubChem CID 158158408) has the molecular formula C42H64N10O8S2 and a molecular weight of 901.17 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane
PubChem CID158158408
Molecular FormulaC42H64N10O8S2
Molecular Weight901.17 g/mol
Exact Mass900.44
IUPAC NameN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane
SMILESC.C.CN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.CN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H29N5O4S.C20H27N5O4S.2CH4/c2*1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24;;/h6-9,15,26H,4-5,10-14H2,1-3H3;6-9,14-15H,4-5,10-13H2,1-3H3;2*1H4
InChIKeyFVYZBGOPDUKQJN-UHFFFAOYSA-N
XLogP1.80
TPSA194.80 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane?
The IUPAC name of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane (CID 158158408) is N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane.
What is the SMILES notation for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane?
The canonical SMILES for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane is C.C.CN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.CN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane?
The InChIKey is FVYZBGOPDUKQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S.C20H27N5O4S.2CH4/c2*1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24;;/h6-9,15,26H,4-5,10-14H2,1-3H3;6-9,14-15H,4-5,10-13H2,1-3H3;2*1H4.
What are the key properties of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane?
N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane has a molecular weight of 901.17 g/mol, XLogP of 1.80, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide;4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide;methane is sourced from PubChem (CID 158158408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).