3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

C21H30N6O3S — CID 24589356

IUPAC3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(N2CCN(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H30N6O3S/c1-15(2)21-23-16(3)14-19(25-21)27-12-10-26(11-13-27)9-8-20(28)24-17-4-6-18(7-5-17)31(22,29)30/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)(H2,22,29,30)
InChIKeyFKDKOOSHOZLJAE-UHFFFAOYSA-N
MW446.58 g/mol
LogP1.71
Rot. Bonds7

About 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 24589356) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID24589356
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(N2CCN(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H30N6O3S/c1-15(2)21-23-16(3)14-19(25-21)27-12-10-26(11-13-27)9-8-20(28)24-17-4-6-18(7-5-17)31(22,29)30/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)(H2,22,29,30)
InChIKeyFKDKOOSHOZLJAE-UHFFFAOYSA-N
XLogP1.71
TPSA121.52 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide 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-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 24589360
N-cyclopentyl-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 55988447
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
CID 55648530
3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 30871597
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 26376688
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide (CID 24589356) is 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide is Cc1cc(N2CCN(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1.
What is the InChIKey of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is FKDKOOSHOZLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-15(2)21-23-16(3)14-19(25-21)27-12-10-26(11-13-27)9-8-20(28)24-17-4-6-18(7-5-17)31(22,29)30/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)(H2,22,29,30).
What are the key properties of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 446.58 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).