N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide

C25H33N3O5S — CID 2999523

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-32-22-9-5-20(6-10-22)24(27-13-3-2-4-14-27)19-26-25(29)21-7-11-23(12-8-21)34(30,31)28-15-17-33-18-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29)
InChIKeyJKRVDUIIWYSDFY-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2999523) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2999523
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-32-22-9-5-20(6-10-22)24(27-13-3-2-4-14-27)19-26-25(29)21-7-11-23(12-8-21)34(30,31)28-15-17-33-18-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29)
InChIKeyJKRVDUIIWYSDFY-UHFFFAOYSA-N
XLogP2.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 2999523) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JKRVDUIIWYSDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-32-22-9-5-20(6-10-22)24(27-13-3-2-4-14-27)19-26-25(29)21-7-11-23(12-8-21)34(30,31)28-15-17-33-18-16-28/h5-12,24H,2-4,13-19H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2999523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).