N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

C22H27ClN2O4S — CID 26331767

IUPACN-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-3-24(16-17-7-5-4-6-8-17)22(26)18-9-10-21(20(23)15-18)29-19-11-13-25(14-12-19)30(2,27)28/h4-10,15,19H,3,11-14,16H2,1-2H3
InChIKeyRXXRTLHFKYLBTG-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.81
Rot. Bonds7

About N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (PubChem CID 26331767) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
PubChem CID26331767
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c1-3-24(16-17-7-5-4-6-8-17)22(26)18-9-10-21(20(23)15-18)29-19-11-13-25(14-12-19)30(2,27)28/h4-10,15,19H,3,11-14,16H2,1-2H3
InChIKeyRXXRTLHFKYLBTG-UHFFFAOYSA-N
XLogP3.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(diethylamino)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42462227
3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42518079
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 42094721
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 45214837
3-chloro-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72930889
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45231622
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone
CID 45181445
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (CID 26331767) is N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The InChIKey is RXXRTLHFKYLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-3-24(16-17-7-5-4-6-8-17)22(26)18-9-10-21(20(23)15-18)29-19-11-13-25(14-12-19)30(2,27)28/h4-10,15,19H,3,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide has a molecular weight of 450.99 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 26331767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).