N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide

C30H32N4O3S — CID 20760089

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

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide (PubChem CID 20760089) has the molecular formula C30H32N4O3S and a molecular weight of 528.68 g/mol. Its IUPAC name is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide
• PubChem CID: 20760089
• Molecular Formula: C30H32N4O3S
• Molecular Weight: 528.68 g/mol
• Exact Mass: 528.22
• IUPAC Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide
• SMILES: CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4ncc[nH]4)C(=O)CCc4ccccc4)cc32)cc1
• InChI: InChI=1S/C30H32N4O3S/c1-2-22-8-14-26(15-9-22)38(36,37)33-28-16-12-24-11-13-25(20-27(24)28)34(21-29-31-18-19-32-29)30(35)17-10-23-6-4-3-5-7-23/h3-9,11,13-15,18-20,28,33H,2,10,12,16-17,21H2,1H3,(H,31,32)
• InChIKey: CZVHTWUUOBVCNC-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.68
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide?

The IUPAC name of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide (CID 20760089) is N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide.

What is the SMILES notation for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide?

The canonical SMILES for N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide is CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4ncc[nH]4)C(=O)CCc4ccccc4)cc32)cc1.

What is the InChIKey of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide?

The InChIKey is CZVHTWUUOBVCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3S/c1-2-22-8-14-26(15-9-22)38(36,37)33-28-16-12-24-11-13-25(20-27(24)28)34(21-29-31-18-19-32-29)30(35)17-10-23-6-4-3-5-7-23/h3-9,11,13-15,18-20,28,33H,2,10,12,16-17,21H2,1H3,(H,31,32).

What are the key properties of N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide?

N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 528.68 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 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]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 20760089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).