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

C32H32ClN3O3S — CID 20760053

IUPAC3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)C(=O)CCc4cccc(Cl)c4)cc32)cc1
InChIInChI=1S/C32H32ClN3O3S/c1-2-23-8-14-29(15-9-23)40(38,39)35-31-16-12-26-11-13-28(20-30(26)31)36(22-25-6-4-18-34-21-25)32(37)17-10-24-5-3-7-27(33)19-24/h3-9,11,13-15,18-21,31,35H,2,10,12,16-17,22H2,1H3
InChIKeyXGEAAIMNQMRUIX-UHFFFAOYSA-N
MW574.15 g/mol
LogP6.43
Rot. Bonds10

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

3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 20760053) has the molecular formula C32H32ClN3O3S and a molecular weight of 574.15 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID20760053
Molecular FormulaC32H32ClN3O3S
Molecular Weight574.15 g/mol
Exact Mass573.19
IUPAC Name3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)C(=O)CCc4cccc(Cl)c4)cc32)cc1
InChIInChI=1S/C32H32ClN3O3S/c1-2-23-8-14-29(15-9-23)40(38,39)35-31-16-12-26-11-13-28(20-30(26)31)36(22-25-6-4-18-34-21-25)32(37)17-10-24-5-3-7-27(33)19-24/h3-9,11,13-15,18-21,31,35H,2,10,12,16-17,22H2,1H3
InChIKeyXGEAAIMNQMRUIX-UHFFFAOYSA-N
XLogP6.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.15
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 20760053) is 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4cccnc4)C(=O)CCc4cccc(Cl)c4)cc32)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XGEAAIMNQMRUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN3O3S/c1-2-23-8-14-29(15-9-23)40(38,39)35-31-16-12-26-11-13-28(20-30(26)31)36(22-25-6-4-18-34-21-25)32(37)17-10-24-5-3-7-27(33)19-24/h3-9,11,13-15,18-21,31,35H,2,10,12,16-17,22H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 574.15 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 20760053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).