N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C31H30FN3O3S — CID 20760079

IUPACN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4cccc(F)c4)cc32)cc1
InChIInChI=1S/C31H30FN3O3S/c1-3-22-10-15-28(16-11-22)39(37,38)34-30-17-13-23-12-14-27(19-29(23)30)35(20-26-9-4-6-21(2)33-26)31(36)24-7-5-8-25(32)18-24/h4-12,14-16,18-19,30,34H,3,13,17,20H2,1-2H3
InChIKeyXEPSFOVZQBHJKL-UHFFFAOYSA-N
MW543.66 g/mol
LogP5.90
Rot. Bonds8

About N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 20760079) has the molecular formula C31H30FN3O3S and a molecular weight of 543.66 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID20760079
Molecular FormulaC31H30FN3O3S
Molecular Weight543.66 g/mol
Exact Mass543.20
IUPAC NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4cccc(F)c4)cc32)cc1
InChIInChI=1S/C31H30FN3O3S/c1-3-22-10-15-28(16-11-22)39(37,38)34-30-17-13-23-12-14-27(19-29(23)30)35(20-26-9-4-6-21(2)33-26)31(36)24-7-5-8-25(32)18-24/h4-12,14-16,18-19,30,34H,3,13,17,20H2,1-2H3
InChIKeyXEPSFOVZQBHJKL-UHFFFAOYSA-N
XLogP5.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.66
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]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-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 20760079) is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4cccc(F)c4)cc32)cc1.
What is the InChIKey of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is XEPSFOVZQBHJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O3S/c1-3-22-10-15-28(16-11-22)39(37,38)34-30-17-13-23-12-14-27(19-29(23)30)35(20-26-9-4-6-21(2)33-26)31(36)24-7-5-8-25(32)18-24/h4-12,14-16,18-19,30,34H,3,13,17,20H2,1-2H3.
What are the key properties of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 543.66 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 20760079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).