2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide

C19H31N3O5S — CID 8804048

IUPAC2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C19H31N3O5S/c1-15(2)7-8-20-19(23)14-21-9-11-22(12-10-21)28(24,25)18-13-16(26-3)5-6-17(18)27-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyORJSDSZCBYAWHN-UHFFFAOYSA-N
MW413.54 g/mol
LogP1.17
Rot. Bonds9

About 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 8804048) has the molecular formula C19H31N3O5S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID8804048
Molecular FormulaC19H31N3O5S
Molecular Weight413.54 g/mol
Exact Mass413.20
IUPAC Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1
InChIInChI=1S/C19H31N3O5S/c1-15(2)7-8-20-19(23)14-21-9-11-22(12-10-21)28(24,25)18-13-16(26-3)5-6-17(18)27-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyORJSDSZCBYAWHN-UHFFFAOYSA-N
XLogP1.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8721119
N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747794
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9443869
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 43039559
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9258084
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8804057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide (CID 8804048) is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide is COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is ORJSDSZCBYAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5S/c1-15(2)7-8-20-19(23)14-21-9-11-22(12-10-21)28(24,25)18-13-16(26-3)5-6-17(18)27-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 413.54 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 8804048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).