2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

C20H32N4O4S — CID 8787803

IUPAC2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C20H32N4O4S/c1-5-8-21-19(25)14-22(4)20(26)15-23-9-11-24(12-10-23)29(27,28)18-7-6-16(2)13-17(18)3/h6-7,13H,5,8-12,14-15H2,1-4H3,(H,21,25)
InChIKeyDNYQHAZGFHPPRK-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.59
Rot. Bonds8

About 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 8787803) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID8787803
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C20H32N4O4S/c1-5-8-21-19(25)14-22(4)20(26)15-23-9-11-24(12-10-23)29(27,28)18-7-6-16(2)13-17(18)3/h6-7,13H,5,8-12,14-15H2,1-4H3,(H,21,25)
InChIKeyDNYQHAZGFHPPRK-UHFFFAOYSA-N
XLogP0.59
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-N-phenylacetamide
CID 8787728
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8787857
4-(2,4-dimethylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811964
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8730679
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 8787803) is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is DNYQHAZGFHPPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-5-8-21-19(25)14-22(4)20(26)15-23-9-11-24(12-10-23)29(27,28)18-7-6-16(2)13-17(18)3/h6-7,13H,5,8-12,14-15H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 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-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 8787803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).