N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide

C19H23N5O2S2 — CID 78847044

IUPACN,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C19H23N5O2S2/c1-22(2)28(25,26)16-5-3-4-15(12-16)13-23-7-9-24(10-8-23)18-17-6-11-27-19(17)21-14-20-18/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyPFRSBBOHILVCGX-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.26
Rot. Bonds5

About N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide

N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide (PubChem CID 78847044) has the molecular formula C19H23N5O2S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
PubChem CID78847044
Molecular FormulaC19H23N5O2S2
Molecular Weight417.56 g/mol
Exact Mass417.13
IUPAC NameN,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C19H23N5O2S2/c1-22(2)28(25,26)16-5-3-4-15(12-16)13-23-7-9-24(10-8-23)18-17-6-11-27-19(17)21-14-20-18/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyPFRSBBOHILVCGX-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-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,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide (CID 78847044) is N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN2CCN(c3ncnc4sccc34)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The InChIKey is PFRSBBOHILVCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S2/c1-22(2)28(25,26)16-5-3-4-15(12-16)13-23-7-9-24(10-8-23)18-17-6-11-27-19(17)21-14-20-18/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide?
N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide has a molecular weight of 417.56 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 78847044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).