2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

C20H26N6O4S — CID 4968832

IUPAC2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C20H26N6O4S/c1-15-4-5-17(12-16(15)2)31(29,30)24-13-18(27)23-14-19(28)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12,24H,8-11,13-14H2,1-2H3,(H,23,27)
InChIKeyYIENLCRALZTSGM-UHFFFAOYSA-N
MW446.53 g/mol
LogP-0.16
Rot. Bonds7

About 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 4968832) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID4968832
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC Name2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C20H26N6O4S/c1-15-4-5-17(12-16(15)2)31(29,30)24-13-18(27)23-14-19(28)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12,24H,8-11,13-14H2,1-2H3,(H,23,27)
InChIKeyYIENLCRALZTSGM-UHFFFAOYSA-N
XLogP-0.16
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]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

2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994726
2-(3,4-dimethylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004883
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
3,4-difluoro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 24539431
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205457
3,4-dimethyl-N-[4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutyl]benzenesulfonamide
CID 9152569

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 4968832) is 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is YIENLCRALZTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S/c1-15-4-5-17(12-16(15)2)31(29,30)24-13-18(27)23-14-19(28)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12,24H,8-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 446.53 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 4968832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).