N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide

C20H26N4O3S2 — CID 59114371

IUPACN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
SMILESCCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3cnccc3c(=O)c12
InChIInChI=1S/C20H26N4O3S2/c1-4-24(5-2)11-10-22-16-7-6-14(12-23-29(3,26)27)20-18(16)19(25)15-8-9-21-13-17(15)28-20/h6-9,13,22-23H,4-5,10-12H2,1-3H3
InChIKeyPDPALFPWHIAASO-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.61
Rot. Bonds9

About N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide

N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide (PubChem CID 59114371) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
PubChem CID59114371
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC NameN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
SMILESCCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3cnccc3c(=O)c12
InChIInChI=1S/C20H26N4O3S2/c1-4-24(5-2)11-10-22-16-7-6-14(12-23-29(3,26)27)20-18(16)19(25)15-8-9-21-13-17(15)28-20/h6-9,13,22-23H,4-5,10-12H2,1-3H3
InChIKeyPDPALFPWHIAASO-UHFFFAOYSA-N
XLogP2.61
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide 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-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl](113C)methyl]methane(15N)sulfonamide
CID 10342947
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-c]pyridin-10-one;ethane
CID 142807817
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 22915332
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
CID 59114365
[benzenesulfonyl-[2-[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]ethyl]amino] methanesulfonate
CID 56988541
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
CID 5351142
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
CID 59114351
1-[2-[ethyl-(2-hydroxy-2-methoxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 23618429
N-[[1-[2-(dimethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-N-methylformamide
CID 22915330
1-[2-[ethyl(2-hydroxypropan-2-yl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 11954300
N-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxothioxanthen-2-yl]methyl]formamide
CID 87937227
1-[2-(diethylamino)ethylamino]-7-methoxythioxanthen-9-one
CID 22915306

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide (CID 59114371) is N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide is CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3cnccc3c(=O)c12.
What is the InChIKey of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide?
The InChIKey is PDPALFPWHIAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-4-24(5-2)11-10-22-16-7-6-14(12-23-29(3,26)27)20-18(16)19(25)15-8-9-21-13-17(15)28-20/h6-9,13,22-23H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide?
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide has a molecular weight of 434.59 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59114371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).