N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

C18H26N6O3S2 — CID 122332954

IUPACN-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)s1
InChIInChI=1S/C18H26N6O3S2/c1-13-11-16(22(3)4)21-18(20-13)23-7-9-24(10-8-23)29(26,27)17-6-5-15(28-17)12-19-14(2)25/h5-6,11H,7-10,12H2,1-4H3,(H,19,25)
InChIKeyQWLLLNSVMYLGTN-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.06
Rot. Bonds6

About N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 122332954) has the molecular formula C18H26N6O3S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID122332954
Molecular FormulaC18H26N6O3S2
Molecular Weight438.58 g/mol
Exact Mass438.15
IUPAC NameN-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)s1
InChIInChI=1S/C18H26N6O3S2/c1-13-11-16(22(3)4)21-18(20-13)23-7-9-24(10-8-23)29(26,27)17-6-5-15(28-17)12-19-14(2)25/h5-6,11H,7-10,12H2,1-4H3,(H,19,25)
InChIKeyQWLLLNSVMYLGTN-UHFFFAOYSA-N
XLogP1.06
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]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

N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122342848
N-[[5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122343962
N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332471
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122254403
N-[[5-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122345605
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
N-[[5-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122355811
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (CID 122332954) is N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)s1.
What is the InChIKey of N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is QWLLLNSVMYLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S2/c1-13-11-16(22(3)4)21-18(20-13)23-7-9-24(10-8-23)29(26,27)17-6-5-15(28-17)12-19-14(2)25/h5-6,11H,7-10,12H2,1-4H3,(H,19,25).
What are the key properties of N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 438.58 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122332954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).