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

C33H34FN3O3S — CID 20760078

IUPACN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)CCc4ccc(F)cc4)cc32)cc1
InChIInChI=1S/C33H34FN3O3S/c1-3-24-9-17-30(18-10-24)41(39,40)36-32-19-13-26-12-16-29(21-31(26)32)37(22-28-6-4-5-23(2)35-28)33(38)20-11-25-7-14-27(34)15-8-25/h4-10,12,14-18,21,32,36H,3,11,13,19-20,22H2,1-2H3
InChIKeyCXJUPQXSRCRBAT-UHFFFAOYSA-N
MW571.72 g/mol
LogP6.22
Rot. Bonds10

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

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 20760078) has the molecular formula C33H34FN3O3S and a molecular weight of 571.72 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID20760078
Molecular FormulaC33H34FN3O3S
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)CCc4ccc(F)cc4)cc32)cc1
InChIInChI=1S/C33H34FN3O3S/c1-3-24-9-17-30(18-10-24)41(39,40)36-32-19-13-26-12-16-29(21-31(26)32)37(22-28-6-4-5-23(2)35-28)33(38)20-11-25-7-14-27(34)15-8-25/h4-10,12,14-18,21,32,36H,3,11,13,19-20,22H2,1-2H3
InChIKeyCXJUPQXSRCRBAT-UHFFFAOYSA-N
XLogP6.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide 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-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 20760078) is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccc(C)n4)C(=O)CCc4ccc(F)cc4)cc32)cc1.
What is the InChIKey of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is CXJUPQXSRCRBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O3S/c1-3-24-9-17-30(18-10-24)41(39,40)36-32-19-13-26-12-16-29(21-31(26)32)37(22-28-6-4-5-23(2)35-28)33(38)20-11-25-7-14-27(34)15-8-25/h4-10,12,14-18,21,32,36H,3,11,13,19-20,22H2,1-2H3.
What are the key properties of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 571.72 g/mol, XLogP of 6.22, 10 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-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 20760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).