N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide

C32H24FN5O5S — CID 121272650

IUPACN-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C32H24FN5O5S/c33-25-11-13-28-24(16-25)17-29(32-34-14-15-43-32)38(28)20-30(39)36-19-26-12-10-23(18-35-26)21-6-8-22(9-7-21)31(40)37-44(41,42)27-4-2-1-3-5-27/h1-18H,19-20H2,(H,36,39)(H,37,40)
InChIKeyCFHMTAHRPPKKGW-UHFFFAOYSA-N
MW609.64 g/mol
LogP4.93
Rot. Bonds9

About N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide

N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide (PubChem CID 121272650) has the molecular formula C32H24FN5O5S and a molecular weight of 609.64 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide
PubChem CID121272650
Molecular FormulaC32H24FN5O5S
Molecular Weight609.64 g/mol
Exact Mass609.15
IUPAC NameN-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C32H24FN5O5S/c33-25-11-13-28-24(16-25)17-29(32-34-14-15-43-32)38(28)20-30(39)36-19-26-12-10-23(18-35-26)21-6-8-22(9-7-21)31(40)37-44(41,42)27-4-2-1-3-5-27/h1-18H,19-20H2,(H,36,39)(H,37,40)
InChIKeyCFHMTAHRPPKKGW-UHFFFAOYSA-N
XLogP4.93
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.64
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]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 N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide (CID 121272650) is N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide?
The InChIKey is CFHMTAHRPPKKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5O5S/c33-25-11-13-28-24(16-25)17-29(32-34-14-15-43-32)38(28)20-30(39)36-19-26-12-10-23(18-35-26)21-6-8-22(9-7-21)31(40)37-44(41,42)27-4-2-1-3-5-27/h1-18H,19-20H2,(H,36,39)(H,37,40).
What are the key properties of N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide?
N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide has a molecular weight of 609.64 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[6-[[[2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetyl]amino]methyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 121272650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).