N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C20H27N5O4S — CID 42474065

IUPACN-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCCCOc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O4S/c1-4-13-29-20-14-19(21-15(2)22-20)24-9-11-25(12-10-24)30(27,28)18-7-5-17(6-8-18)23-16(3)26/h5-8,14H,4,9-13H2,1-3H3,(H,23,26)
InChIKeyRPFFFTWCHMQMJO-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.04
Rot. Bonds7

About N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 42474065) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID42474065
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC NameN-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCCCOc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O4S/c1-4-13-29-20-14-19(21-15(2)22-20)24-9-11-25(12-10-24)30(27,28)18-7-5-17(6-8-18)23-16(3)26/h5-8,14H,4,9-13H2,1-3H3,(H,23,26)
InChIKeyRPFFFTWCHMQMJO-UHFFFAOYSA-N
XLogP2.04
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide 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

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121072447
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345029

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 42474065) is N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1.
What is the InChIKey of N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RPFFFTWCHMQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-4-13-29-20-14-19(21-15(2)22-20)24-9-11-25(12-10-24)30(27,28)18-7-5-17(6-8-18)23-16(3)26/h5-8,14H,4,9-13H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 42474065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).