2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide

C37H39F2N5O5S — CID 57392809

IUPAC2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCC(C)c1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C37H39F2N5O5S/c1-23(2)35-25(9-14-34(41-35)49-27-10-12-28(13-11-27)50(3,47)48)21-42-17-15-26(16-18-42)44-33(24-7-5-4-6-8-24)22-43(37(44)46)32-19-29(36(40)45)30(38)20-31(32)39/h4-14,19-20,23,26,33H,15-18,21-22H2,1-3H3,(H2,40,45)/t33-/m0/s1
InChIKeyULBFCXWATFSYAH-XIFFEERXSA-N
MW703.81 g/mol
LogP6.43
Rot. Bonds10

About 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide

2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide (PubChem CID 57392809) has the molecular formula C37H39F2N5O5S and a molecular weight of 703.81 g/mol. Its IUPAC name is 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide
PubChem CID57392809
Molecular FormulaC37H39F2N5O5S
Molecular Weight703.81 g/mol
Exact Mass703.26
IUPAC Name2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCC(C)c1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C37H39F2N5O5S/c1-23(2)35-25(9-14-34(41-35)49-27-10-12-28(13-11-27)50(3,47)48)21-42-17-15-26(16-18-42)44-33(24-7-5-4-6-8-24)22-43(37(44)46)32-19-29(36(40)45)30(38)20-31(32)39/h4-14,19-20,23,26,33H,15-18,21-22H2,1-3H3,(H2,40,45)/t33-/m0/s1
InChIKeyULBFCXWATFSYAH-XIFFEERXSA-N
XLogP6.43
TPSA126.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.81
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide?
The IUPAC name of 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide (CID 57392809) is 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide is CC(C)c1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide?
The InChIKey is ULBFCXWATFSYAH-XIFFEERXSA-N. The full InChI is InChI=1S/C37H39F2N5O5S/c1-23(2)35-25(9-14-34(41-35)49-27-10-12-28(13-11-27)50(3,47)48)21-42-17-15-26(16-18-42)44-33(24-7-5-4-6-8-24)22-43(37(44)46)32-19-29(36(40)45)30(38)20-31(32)39/h4-14,19-20,23,26,33H,15-18,21-22H2,1-3H3,(H2,40,45)/t33-/m0/s1.
What are the key properties of 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide?
2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide has a molecular weight of 703.81 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(4R)-3-[1-[[6-(4-methylsulfonylphenoxy)-2-propan-2-yl-3-pyridinyl]methyl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]benzamide is sourced from PubChem (CID 57392809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).