4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine

C22H21N5O2S2 — CID 45136820

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ncccc34)CC2)cc1
InChIInChI=1S/C22H21N5O2S2/c1-16-6-8-17(9-7-16)31(28,29)27-13-11-26(12-14-27)22-18-4-2-10-23-20(18)24-21(25-22)19-5-3-15-30-19/h2-10,15H,11-14H2,1H3
InChIKeyYOCNRNBEVZABNA-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.57
Rot. Bonds4

About 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine (PubChem CID 45136820) has the molecular formula C22H21N5O2S2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine
PubChem CID45136820
Molecular FormulaC22H21N5O2S2
Molecular Weight451.58 g/mol
Exact Mass451.11
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ncccc34)CC2)cc1
InChIInChI=1S/C22H21N5O2S2/c1-16-6-8-17(9-7-16)31(28,29)27-13-11-26(12-14-27)22-18-4-2-10-23-20(18)24-21(25-22)19-5-3-15-30-19/h2-10,15H,11-14H2,1H3
InChIKeyYOCNRNBEVZABNA-UHFFFAOYSA-N
XLogP3.57
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
US10167270, Example 26
CID 25708371
4-[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
CID 26450846
4-[4-(Benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 4035156
[3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 4209877
4-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 17564120
4-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26451183
4-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26451399
2-Thiophen-2-yl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinazoline
CID 44246414
4-(4-Quinolin-3-ylsulfonylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 44246430
4-(4-Quinolin-6-ylsulfonylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 44246438

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine (CID 45136820) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ncccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The InChIKey is YOCNRNBEVZABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S2/c1-16-6-8-17(9-7-16)31(28,29)27-13-11-26(12-14-27)22-18-4-2-10-23-20(18)24-21(25-22)19-5-3-15-30-19/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine has a molecular weight of 451.58 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 45136820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).