N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide

C30H27N5O3S2 — CID 1383828

About N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 1383828) has the molecular formula C30H27N5O3S2 and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
• PubChem CID: 1383828
• Molecular Formula: C30H27N5O3S2
• Molecular Weight: 569.71 g/mol
• Exact Mass: 569.16
• IUPAC Name: N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
• SMILES: CCc1nc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCN5S(=O)(=O)c4ccccc4)cs3)cc2nc1CC
• InChI: InChI=1S/C30H27N5O3S2/c1-3-23-24(4-2)32-26-17-21(10-12-25(26)31-23)29(36)34-30-33-27(18-39-30)19-11-13-28-20(16-19)14-15-35(28)40(37,38)22-8-6-5-7-9-22/h5-13,16-18H,3-4,14-15H2,1-2H3,(H,33,34,36)
• InChIKey: XZXNUZLOLRPYHK-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 105.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.71
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide?

The IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide (CID 1383828) is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide.

What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide?

The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCN5S(=O)(=O)c4ccccc4)cs3)cc2nc1CC.

What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide?

The InChIKey is XZXNUZLOLRPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3S2/c1-3-23-24(4-2)32-26-17-21(10-12-25(26)31-23)29(36)34-30-33-27(18-39-30)19-11-13-28-20(16-19)14-15-35(28)40(37,38)22-8-6-5-7-9-22/h5-13,16-18H,3-4,14-15H2,1-2H3,(H,33,34,36).

What are the key properties of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide?

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 569.71 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 1383828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).