N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C21H30N6O3S — CID 92624164

IUPACN-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNc1cc(CN(C)C)nc(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)n1
InChIInChI=1S/C21H30N6O3S/c1-15(28)23-17-5-7-19(8-6-17)31(29,30)27-11-9-16(10-12-27)21-24-18(14-26(3)4)13-20(22-2)25-21/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,28)(H,22,24,25)
InChIKeyYTNLGFJRXIYVRJ-UHFFFAOYSA-N
MW446.58 g/mol
LogP2.11
Rot. Bonds7

About N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 92624164) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID92624164
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC NameN-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNc1cc(CN(C)C)nc(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)n1
InChIInChI=1S/C21H30N6O3S/c1-15(28)23-17-5-7-19(8-6-17)31(29,30)27-11-9-16(10-12-27)21-24-18(14-26(3)4)13-20(22-2)25-21/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,28)(H,22,24,25)
InChIKeyYTNLGFJRXIYVRJ-UHFFFAOYSA-N
XLogP2.11
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-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

N-methyl-N-[[4-(methylamino)-6-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-yl]methyl]acetamide
CID 110092587
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 92624164) is N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CNc1cc(CN(C)C)nc(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)n1.
What is the InChIKey of N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is YTNLGFJRXIYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-15(28)23-17-5-7-19(8-6-17)31(29,30)27-11-9-16(10-12-27)21-24-18(14-26(3)4)13-20(22-2)25-21/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 446.58 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[(dimethylamino)methyl]-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 92624164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).