2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C24H31N3O3S — CID 27635375

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H31N3O3S/c1-19(21-12-11-20-7-5-6-8-22(20)17-21)25-24(28)18-26-13-15-27(16-14-26)31(29,30)23-9-3-2-4-10-23/h2-4,9-12,17,19H,5-8,13-16,18H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeyKNFDXJLEBQFKHJ-LJQANCHMSA-N
MW441.60 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 27635375) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID27635375
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H31N3O3S/c1-19(21-12-11-20-7-5-6-8-22(20)17-21)25-24(28)18-26-13-15-27(16-14-26)31(29,30)23-9-3-2-4-10-23/h2-4,9-12,17,19H,5-8,13-16,18H2,1H3,(H,25,28)/t19-/m1/s1
InChIKeyKNFDXJLEBQFKHJ-LJQANCHMSA-N
XLogP2.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46560063
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 41194766
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate
CID 26553594
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
3-(azepan-1-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190863
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 42942982
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55490221
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41253691
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46561424
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 27635375) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is KNFDXJLEBQFKHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-19(21-12-11-20-7-5-6-8-22(20)17-21)25-24(28)18-26-13-15-27(16-14-26)31(29,30)23-9-3-2-4-10-23/h2-4,9-12,17,19H,5-8,13-16,18H2,1H3,(H,25,28)/t19-/m1/s1.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 441.60 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 27635375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).