N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C21H28N4OS — CID 8809840

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)nc(C)c1C
InChIInChI=1S/C21H28N4OS/c1-14-9-11-25(12-10-14)19-7-5-18(6-8-19)24-20(26)13-27-21-22-16(3)15(2)17(4)23-21/h5-8,14H,9-13H2,1-4H3,(H,24,26)
InChIKeyHLISUFPDYJCVSY-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.37
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 8809840) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID8809840
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)nc(C)c1C
InChIInChI=1S/C21H28N4OS/c1-14-9-11-25(12-10-14)19-7-5-18(6-8-19)24-20(26)13-27-21-22-16(3)15(2)17(4)23-21/h5-8,14H,9-13H2,1-4H3,(H,24,26)
InChIKeyHLISUFPDYJCVSY-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 17447356
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9006404
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088078
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 8807218
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 8809840) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)nc(C)c1C.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is HLISUFPDYJCVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-14-9-11-25(12-10-14)19-7-5-18(6-8-19)24-20(26)13-27-21-22-16(3)15(2)17(4)23-21/h5-8,14H,9-13H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 384.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8809840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).