2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide

C35H34F2N6O6S — CID 57403251

IUPAC2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)C2c2ccccc2)CC1
InChIInChI=1S/C35H34F2N6O6S/c1-21-23(8-13-31(39-21)49-26-11-9-24(10-12-26)40-50(2,47)48)20-41-16-14-25(15-17-41)42-32(22-6-4-3-5-7-22)34(45)43(35(42)46)30-18-27(33(38)44)28(36)19-29(30)37/h3-13,18-19,25,32,40H,14-17,20H2,1-2H3,(H2,38,44)
InChIKeyNZJHWWRGRCHXEQ-UHFFFAOYSA-N
MW704.76 g/mol
LogP5.11
Rot. Bonds10

About 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide

2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide (PubChem CID 57403251) has the molecular formula C35H34F2N6O6S and a molecular weight of 704.76 g/mol. Its IUPAC name is 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
PubChem CID57403251
Molecular FormulaC35H34F2N6O6S
Molecular Weight704.76 g/mol
Exact Mass704.22
IUPAC Name2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)C2c2ccccc2)CC1
InChIInChI=1S/C35H34F2N6O6S/c1-21-23(8-13-31(39-21)49-26-11-9-24(10-12-26)40-50(2,47)48)20-41-16-14-25(15-17-41)42-32(22-6-4-3-5-7-22)34(45)43(35(42)46)30-18-27(33(38)44)28(36)19-29(30)37/h3-13,18-19,25,32,40H,14-17,20H2,1-2H3,(H2,38,44)
InChIKeyNZJHWWRGRCHXEQ-UHFFFAOYSA-N
XLogP5.11
TPSA155.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.76
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The IUPAC name of 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide (CID 57403251) is 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The canonical SMILES for 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)C2c2ccccc2)CC1.
What is the InChIKey of 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
The InChIKey is NZJHWWRGRCHXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F2N6O6S/c1-21-23(8-13-31(39-21)49-26-11-9-24(10-12-26)40-50(2,47)48)20-41-16-14-25(15-17-41)42-32(22-6-4-3-5-7-22)34(45)43(35(42)46)30-18-27(33(38)44)28(36)19-29(30)37/h3-13,18-19,25,32,40H,14-17,20H2,1-2H3,(H2,38,44).
What are the key properties of 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide?
2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide has a molecular weight of 704.76 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[3-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide is sourced from PubChem (CID 57403251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).