2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide

C26H26F2N2O3S — CID 59943799

About 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide

2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide (PubChem CID 59943799) has the molecular formula C26H26F2N2O3S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
• PubChem CID: 59943799
• Molecular Formula: C26H26F2N2O3S
• Molecular Weight: 484.57 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(C)(=O)=O)C3)c1-c1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C26H26F2N2O3S/c1-16-5-4-6-23(24(16)17-7-10-20(11-8-17)26(2,27)28)25(31)29-21-12-9-18-13-22(15-19(18)14-21)30-34(3,32)33/h4-12,14,22,30H,13,15H2,1-3H3,(H,29,31)/t22-/m1/s1
• InChIKey: ZOUPVTZLAWVLPV-JOCHJYFZSA-N
• XLogP: 5.04
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?

The IUPAC name of 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide (CID 59943799) is 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide.

What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?

The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(C)(=O)=O)C3)c1-c1ccc(C(C)(F)F)cc1.

What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?

The InChIKey is ZOUPVTZLAWVLPV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26F2N2O3S/c1-16-5-4-6-23(24(16)17-7-10-20(11-8-17)26(2,27)28)25(31)29-21-12-9-18-13-22(15-19(18)14-21)30-34(3,32)33/h4-12,14,22,30H,13,15H2,1-3H3,(H,29,31)/t22-/m1/s1.

What are the key properties of 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?

2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide has a molecular weight of 484.57 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide is sourced from PubChem (CID 59943799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).