2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide

C18H28N4O4S — CID 8758053

IUPAC2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H28N4O4S/c1-4-7-19-18(24)20-17(23)13-21-8-10-22(11-9-21)27(25,26)16-6-5-14(2)15(3)12-16/h5-6,12H,4,7-11,13H2,1-3H3,(H2,19,20,23,24)
InChIKeyBSCSORCVWKXYBF-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.85
Rot. Bonds6

About 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 8758053) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID8758053
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H28N4O4S/c1-4-7-19-18(24)20-17(23)13-21-8-10-22(11-9-21)27(25,26)16-6-5-14(2)15(3)12-16/h5-6,12H,4,7-11,13H2,1-3H3,(H2,19,20,23,24)
InChIKeyBSCSORCVWKXYBF-UHFFFAOYSA-N
XLogP0.85
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8691416
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186213
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
N-(butylcarbamoyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8691477
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
(2S)-2-[[2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 25387022
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9349010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide (CID 8758053) is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is BSCSORCVWKXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-4-7-19-18(24)20-17(23)13-21-8-10-22(11-9-21)27(25,26)16-6-5-14(2)15(3)12-16/h5-6,12H,4,7-11,13H2,1-3H3,(H2,19,20,23,24).
What are the key properties of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 396.51 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 8758053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).