2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide

C23H23Cl3N2O2S — CID 10163831

IUPAC2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H23Cl3N2O2S/c24-16-1-4-22-19(12-16)15(14-31-22)11-23(29)27-7-10-28-8-5-17(6-9-28)30-18-2-3-20(25)21(26)13-18/h1-4,12-14,17H,5-11H2,(H,27,29)
InChIKeyFUOWAZRRQZVXBL-UHFFFAOYSA-N
MW497.88 g/mol
LogP6.06
Rot. Bonds7

About 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide

2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide (PubChem CID 10163831) has the molecular formula C23H23Cl3N2O2S and a molecular weight of 497.88 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
PubChem CID10163831
Molecular FormulaC23H23Cl3N2O2S
Molecular Weight497.88 g/mol
Exact Mass496.05
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H23Cl3N2O2S/c24-16-1-4-22-19(12-16)15(14-31-22)11-23(29)27-7-10-28-8-5-17(6-9-28)30-18-2-3-20(25)21(26)13-18/h1-4,12-14,17H,5-11H2,(H,27,29)
InChIKeyFUOWAZRRQZVXBL-UHFFFAOYSA-N
XLogP6.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.88
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
6-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]amino]hexanoic acid
CID 120522433
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 10118194
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide (CID 10163831) is 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide is O=C(Cc1csc2ccc(Cl)cc12)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The InChIKey is FUOWAZRRQZVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O2S/c24-16-1-4-22-19(12-16)15(14-31-22)11-23(29)27-7-10-28-8-5-17(6-9-28)30-18-2-3-20(25)21(26)13-18/h1-4,12-14,17H,5-11H2,(H,27,29).
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide has a molecular weight of 497.88 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 10163831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).