N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide

C19H24N4O5S — CID 6621534

IUPACN-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H24N4O5S/c1-3-13-4-6-15(7-5-13)21-17(24)14-8-10-23(11-9-14)29(27,28)16-12(2)20-19(26)22-18(16)25/h4-7,14H,3,8-11H2,1-2H3,(H,21,24)(H2,20,22,25,26)
InChIKeyXYOJTARBLJIDAK-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.97
Rot. Bonds5

About N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide

N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 6621534) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID6621534
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H24N4O5S/c1-3-13-4-6-15(7-5-13)21-17(24)14-8-10-23(11-9-14)29(27,28)16-12(2)20-19(26)22-18(16)25/h4-7,14H,3,8-11H2,1-2H3,(H,21,24)(H2,20,22,25,26)
InChIKeyXYOJTARBLJIDAK-UHFFFAOYSA-N
XLogP0.97
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide 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

1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 4843067
5-[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)sulfonyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 3242415
5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one
CID 4071560
1-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 89701093
1-Methanesulfonyl-piperidine-4-carboxylic acid (4-isopropyl-phenyl)-amide
CID 649629
N-(4-butylphenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 2956776
5-[(3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)sulfonyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 3243195
Methyl 2-[N-(4-methylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]propanoate
CID 4110619
Methyl 2-{N-[4-(propan-2-YL)phenyl]6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido}acetate
CID 4121127
N-(4-butylphenyl)-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 7161167
1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 9551097
1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 11957239

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide (CID 6621534) is N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is XYOJTARBLJIDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-3-13-4-6-15(7-5-13)21-17(24)14-8-10-23(11-9-14)29(27,28)16-12(2)20-19(26)22-18(16)25/h4-7,14H,3,8-11H2,1-2H3,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6621534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).