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

C34H35F3N6O5S — CID 57392808

IUPAC2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(Cc2ccccc2F)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1
InChIInChI=1S/C34H35F3N6O5S/c1-21-22(7-12-32(39-21)48-26-10-8-24(9-11-26)41-49(2,46)47)19-42-15-13-25(14-16-42)43(20-23-5-3-4-6-28(23)35)34(45)40-31-17-27(33(38)44)29(36)18-30(31)37/h3-12,17-18,25,41H,13-16,19-20H2,1-2H3,(H2,38,44)(H,40,45)
InChIKeyQANAVHYSZWKRTD-UHFFFAOYSA-N
MW696.75 g/mol
LogP5.77
Rot. Bonds11

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

2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide (PubChem CID 57392808) has the molecular formula C34H35F3N6O5S and a molecular weight of 696.75 g/mol. Its IUPAC name is 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide
PubChem CID57392808
Molecular FormulaC34H35F3N6O5S
Molecular Weight696.75 g/mol
Exact Mass696.23
IUPAC Name2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(Cc2ccccc2F)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1
InChIInChI=1S/C34H35F3N6O5S/c1-21-22(7-12-32(39-21)48-26-10-8-24(9-11-26)41-49(2,46)47)19-42-15-13-25(14-16-42)43(20-23-5-3-4-6-28(23)35)34(45)40-31-17-27(33(38)44)29(36)18-30(31)37/h3-12,17-18,25,41H,13-16,19-20H2,1-2H3,(H2,38,44)(H,40,45)
InChIKeyQANAVHYSZWKRTD-UHFFFAOYSA-N
XLogP5.77
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.75
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]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-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide (CID 57392808) is 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(Cc2ccccc2F)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide?
The InChIKey is QANAVHYSZWKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N6O5S/c1-21-22(7-12-32(39-21)48-26-10-8-24(9-11-26)41-49(2,46)47)19-42-15-13-25(14-16-42)43(20-23-5-3-4-6-28(23)35)34(45)40-31-17-27(33(38)44)29(36)18-30(31)37/h3-12,17-18,25,41H,13-16,19-20H2,1-2H3,(H2,38,44)(H,40,45).
What are the key properties of 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide?
2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide has a molecular weight of 696.75 g/mol, XLogP of 5.77, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[(2-fluorophenyl)methyl-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide is sourced from PubChem (CID 57392808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).