N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide

C24H31N5O2S2 — CID 46600118

IUPACN-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
SMILESCc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)N(C)C5CCCCC5)CC4)c23)cc1
InChIInChI=1S/C24H31N5O2S2/c1-18-8-10-19(11-9-18)21-16-32-24-22(21)23(25-17-26-24)28-12-14-29(15-13-28)33(30,31)27(2)20-6-4-3-5-7-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3
InChIKeyIQTCXCHLLJEBJE-UHFFFAOYSA-N
MW485.68 g/mol
LogP4.30
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide (PubChem CID 46600118) has the molecular formula C24H31N5O2S2 and a molecular weight of 485.68 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
PubChem CID46600118
Molecular FormulaC24H31N5O2S2
Molecular Weight485.68 g/mol
Exact Mass485.19
IUPAC NameN-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
SMILESCc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)N(C)C5CCCCC5)CC4)c23)cc1
InChIInChI=1S/C24H31N5O2S2/c1-18-8-10-19(11-9-18)21-16-32-24-22(21)23(25-17-26-24)28-12-14-29(15-13-28)33(30,31)27(2)20-6-4-3-5-7-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3
InChIKeyIQTCXCHLLJEBJE-UHFFFAOYSA-N
XLogP4.30
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.68
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide 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

5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 16553198
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 24885451
ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-methylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 53239860
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 1323094
5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 24980394
5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16553323

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide (CID 46600118) is N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide is Cc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)N(C)C5CCCCC5)CC4)c23)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide?
The InChIKey is IQTCXCHLLJEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S2/c1-18-8-10-19(11-9-18)21-16-32-24-22(21)23(25-17-26-24)28-12-14-29(15-13-28)33(30,31)27(2)20-6-4-3-5-7-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide has a molecular weight of 485.68 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 46600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).