2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide

C17H28ClN3O3S2 — CID 53118961

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H28ClN3O3S2/c1-3-20(4-2)12-9-19-16(22)13-14-7-10-21(11-8-14)26(23,24)17-6-5-15(18)25-17/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,22)
InChIKeyMNGGRUHAQYIGPF-UHFFFAOYSA-N
MW422.02 g/mol
LogP2.65
Rot. Bonds9

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 53118961) has the molecular formula C17H28ClN3O3S2 and a molecular weight of 422.02 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID53118961
Molecular FormulaC17H28ClN3O3S2
Molecular Weight422.02 g/mol
Exact Mass421.13
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H28ClN3O3S2/c1-3-20(4-2)12-9-19-16(22)13-14-7-10-21(11-8-14)26(23,24)17-6-5-15(18)25-17/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,22)
InChIKeyMNGGRUHAQYIGPF-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.02
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 53118998
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53118995
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
2-[butyl(ethyl)amino]-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 55437151
(2S)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 95088926
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-ethoxypropyl)propanamide
CID 53119071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide (CID 53118961) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is MNGGRUHAQYIGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O3S2/c1-3-20(4-2)12-9-19-16(22)13-14-7-10-21(11-8-14)26(23,24)17-6-5-15(18)25-17/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 422.02 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 53118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).