2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

C16H26ClN3O3S2 — CID 55437151

IUPAC2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H26ClN3O3S2/c1-3-5-8-18(4-2)13-15(21)19-9-11-20(12-10-19)25(22,23)16-7-6-14(17)24-16/h6-7H,3-5,8-13H2,1-2H3
InChIKeyNUMXKSLRFKUWBZ-UHFFFAOYSA-N
MW407.99 g/mol
LogP2.36
Rot. Bonds8

About 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 55437151) has the molecular formula C16H26ClN3O3S2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID55437151
Molecular FormulaC16H26ClN3O3S2
Molecular Weight407.99 g/mol
Exact Mass407.11
IUPAC Name2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H26ClN3O3S2/c1-3-5-8-18(4-2)13-15(21)19-9-11-20(12-10-19)25(22,23)16-7-6-14(17)24-16/h6-7H,3-5,8-13H2,1-2H3
InChIKeyNUMXKSLRFKUWBZ-UHFFFAOYSA-N
XLogP2.36
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
4-amino-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one
CID 120587011
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 53118961
1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethanone
CID 26625805
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (CID 55437151) is 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is CCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is NUMXKSLRFKUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O3S2/c1-3-5-8-18(4-2)13-15(21)19-9-11-20(12-10-19)25(22,23)16-7-6-14(17)24-16/h6-7H,3-5,8-13H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 407.99 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 55437151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).