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

C17H23N5O4S2 — CID 122332471

IUPACN-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccc(CNC(C)=O)s3)CC2)nc(C)n1
InChIInChI=1S/C17H23N5O4S2/c1-12-19-15(10-16(20-12)26-3)21-6-8-22(9-7-21)28(24,25)17-5-4-14(27-17)11-18-13(2)23/h4-5,10H,6-9,11H2,1-3H3,(H,18,23)
InChIKeyGCYCSFUYIGBYKJ-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.00
Rot. Bonds6

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

N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 122332471) has the molecular formula C17H23N5O4S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID122332471
Molecular FormulaC17H23N5O4S2
Molecular Weight425.54 g/mol
Exact Mass425.12
IUPAC NameN-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccc(CNC(C)=O)s3)CC2)nc(C)n1
InChIInChI=1S/C17H23N5O4S2/c1-12-19-15(10-16(20-12)26-3)21-6-8-22(9-7-21)28(24,25)17-5-4-14(27-17)11-18-13(2)23/h4-5,10H,6-9,11H2,1-3H3,(H,18,23)
InChIKeyGCYCSFUYIGBYKJ-UHFFFAOYSA-N
XLogP1.00
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332434
N-[[5-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122345605
N-[[5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122343962
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122342848
N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332954
N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122346052
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122355811
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (CID 122332471) is N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is COc1cc(N2CCN(S(=O)(=O)c3ccc(CNC(C)=O)s3)CC2)nc(C)n1.
What is the InChIKey of N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is GCYCSFUYIGBYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S2/c1-12-19-15(10-16(20-12)26-3)21-6-8-22(9-7-21)28(24,25)17-5-4-14(27-17)11-18-13(2)23/h4-5,10H,6-9,11H2,1-3H3,(H,18,23).
What are the key properties of N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122332471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).