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

C32H32FN3O3S — CID 20760077

IUPACN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)C(=O)CCc4ccc(F)cc4)cc32)cc1
InChIInChI=1S/C32H32FN3O3S/c1-2-23-7-15-29(16-8-23)40(38,39)35-31-17-11-26-10-14-28(20-30(26)31)36(22-25-4-3-19-34-21-25)32(37)18-9-24-5-12-27(33)13-6-24/h3-8,10,12-16,19-21,31,35H,2,9,11,17-18,22H2,1H3
InChIKeyCRXLNFXUAHXILI-UHFFFAOYSA-N
MW557.69 g/mol
LogP5.91
Rot. Bonds10

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

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 20760077) has the molecular formula C32H32FN3O3S and a molecular weight of 557.69 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID20760077
Molecular FormulaC32H32FN3O3S
Molecular Weight557.69 g/mol
Exact Mass557.21
IUPAC NameN-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)C(=O)CCc4ccc(F)cc4)cc32)cc1
InChIInChI=1S/C32H32FN3O3S/c1-2-23-7-15-29(16-8-23)40(38,39)35-31-17-11-26-10-14-28(20-30(26)31)36(22-25-4-3-19-34-21-25)32(37)18-9-24-5-12-27(33)13-6-24/h3-8,10,12-16,19-21,31,35H,2,9,11,17-18,22H2,1H3
InChIKeyCRXLNFXUAHXILI-UHFFFAOYSA-N
XLogP5.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.69
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 20760077) is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)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-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CRXLNFXUAHXILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O3S/c1-2-23-7-15-29(16-8-23)40(38,39)35-31-17-11-26-10-14-28(20-30(26)31)36(22-25-4-3-19-34-21-25)32(37)18-9-24-5-12-27(33)13-6-24/h3-8,10,12-16,19-21,31,35H,2,9,11,17-18,22H2,1H3.
What are the key properties of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 557.69 g/mol, XLogP of 5.91, 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-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 20760077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).