N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide

C18H23N5O3S — CID 171336337

IUPACN-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c1-13-11-18(20-12-19-13)22-16-7-9-23(10-8-16)27(25,26)17-5-3-15(4-6-17)21-14(2)24/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyAKDGFTSXKMFKKK-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.01
Rot. Bonds5

About N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 171336337) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID171336337
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c1-13-11-18(20-12-19-13)22-16-7-9-23(10-8-16)27(25,26)17-5-3-15(4-6-17)21-14(2)24/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyAKDGFTSXKMFKKK-UHFFFAOYSA-N
XLogP2.01
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887672
N-[4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71799623
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide (CID 171336337) is N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)ncn3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is AKDGFTSXKMFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-13-11-18(20-12-19-13)22-16-7-9-23(10-8-16)27(25,26)17-5-3-15(4-6-17)21-14(2)24/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 171336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).