2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

C22H28N4O4S — CID 24679978

IUPAC2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C22H28N4O4S/c1-16-9-10-19(17(2)15-16)31(29,30)26-13-11-25(12-14-26)20(18-7-5-4-6-8-18)21(27)24-22(28)23-3/h4-10,15,20H,11-14H2,1-3H3,(H2,23,24,27,28)
InChIKeyYMGQXMYSTFTXTE-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 24679978) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID24679978
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C22H28N4O4S/c1-16-9-10-19(17(2)15-16)31(29,30)26-13-11-25(12-14-26)20(18-7-5-4-6-8-18)21(27)24-22(28)23-3/h4-10,15,20H,11-14H2,1-3H3,(H2,23,24,27,28)
InChIKeyYMGQXMYSTFTXTE-UHFFFAOYSA-N
XLogP1.81
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 55410781
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7676494
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730833
(2S)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 2655908
N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 71903463
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 4808839

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (CID 24679978) is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is YMGQXMYSTFTXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-16-9-10-19(17(2)15-16)31(29,30)26-13-11-25(12-14-26)20(18-7-5-4-6-8-18)21(27)24-22(28)23-3/h4-10,15,20H,11-14H2,1-3H3,(H2,23,24,27,28).
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 444.56 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 24679978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).