4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide

C24H32N2O5S — CID 142845790

IUPAC4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCN(CCOC)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O5S/c1-29-16-15-26-13-11-24(12-14-26,23(25)27)32(28)22-9-5-20(6-10-22)19-3-7-21(8-4-19)31-18-17-30-2/h3-10H,11-18H2,1-2H3,(H2,25,27)
InChIKeyWIVGFEPGKNIDTN-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.45
Rot. Bonds11

About 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide

4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 142845790) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID142845790
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCN(CCOC)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O5S/c1-29-16-15-26-13-11-24(12-14-26,23(25)27)32(28)22-9-5-20(6-10-22)19-3-7-21(8-4-19)31-18-17-30-2/h3-10H,11-18H2,1-2H3,(H2,25,27)
InChIKeyWIVGFEPGKNIDTN-UHFFFAOYSA-N
XLogP2.45
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 142845790) is 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCN(CCOC)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is WIVGFEPGKNIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-29-16-15-26-13-11-24(12-14-26,23(25)27)32(28)22-9-5-20(6-10-22)19-3-7-21(8-4-19)31-18-17-30-2/h3-10H,11-18H2,1-2H3,(H2,25,27).
What are the key properties of 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide?
4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 142845790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).