2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C18H23N3O3S2 — CID 110353860

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1cscn1
InChIInChI=1S/C18H23N3O3S2/c22-18(19-9-6-16-13-25-14-20-16)12-15-7-10-21(11-8-15)26(23,24)17-4-2-1-3-5-17/h1-5,13-15H,6-12H2,(H,19,22)
InChIKeyKOXHWXOUBYJDIJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.29
Rot. Bonds7

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110353860) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110353860
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1cscn1
InChIInChI=1S/C18H23N3O3S2/c22-18(19-9-6-16-13-25-14-20-16)12-15-7-10-21(11-8-15)26(23,24)17-4-2-1-3-5-17/h1-5,13-15H,6-12H2,(H,19,22)
InChIKeyKOXHWXOUBYJDIJ-UHFFFAOYSA-N
XLogP2.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46294811
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 46294835
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
CID 20973380
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18208902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 110353860) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1cscn1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is KOXHWXOUBYJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-18(19-9-6-16-13-25-14-20-16)12-15-7-10-21(11-8-15)26(23,24)17-4-2-1-3-5-17/h1-5,13-15H,6-12H2,(H,19,22).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110353860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).