N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide

C22H26F2N2O4S — CID 38030619

IUPACN-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H26F2N2O4S/c1-30-14-13-25(16-17-5-3-2-4-6-17)22(27)18-9-11-26(12-10-18)31(28,29)21-15-19(23)7-8-20(21)24/h2-8,15,18H,9-14,16H2,1H3
InChIKeyZPHBEZTWLNQFJC-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.04
Rot. Bonds8

About N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide

N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 38030619) has the molecular formula C22H26F2N2O4S and a molecular weight of 452.52 g/mol. Its IUPAC name is N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID38030619
Molecular FormulaC22H26F2N2O4S
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC NameN-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H26F2N2O4S/c1-30-14-13-25(16-17-5-3-2-4-6-17)22(27)18-9-11-26(12-10-18)31(28,29)21-15-19(23)7-8-20(21)24/h2-8,15,18H,9-14,16H2,1H3
InChIKeyZPHBEZTWLNQFJC-UHFFFAOYSA-N
XLogP3.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 38030619) is N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is ZPHBEZTWLNQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4S/c1-30-14-13-25(16-17-5-3-2-4-6-17)22(27)18-9-11-26(12-10-18)31(28,29)21-15-19(23)7-8-20(21)24/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide?
N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 38030619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).