N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

C26H29N3O6S — CID 118958780

About N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118958780) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• PubChem CID: 118958780
• Molecular Formula: C26H29N3O6S
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.18
• IUPAC Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• SMILES: C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NS(C)(=O)=O)ccc32)C1=O
• InChI: InChI=1S/C26H29N3O6S/c1-17(19-8-9-19)28(15-18-6-4-3-5-7-18)23(30)16-29-24(31)26(35-25(29)32)13-12-20-14-21(10-11-22(20)26)27-36(2,33)34/h3-7,10-11,14,17,19,27H,8-9,12-13,15-16H2,1-2H3/t17-,26?/m0/s1
• InChIKey: MGAPPFYEPCARBZ-WFFHQLTOSA-N
• XLogP: 3.01
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118958780) is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

What is the SMILES notation for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The canonical SMILES for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NS(C)(=O)=O)ccc32)C1=O.

What is the InChIKey of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The InChIKey is MGAPPFYEPCARBZ-WFFHQLTOSA-N. The full InChI is InChI=1S/C26H29N3O6S/c1-17(19-8-9-19)28(15-18-6-4-3-5-7-18)23(30)16-29-24(31)26(35-25(29)32)13-12-20-14-21(10-11-22(20)26)27-36(2,33)34/h3-7,10-11,14,17,19,27H,8-9,12-13,15-16H2,1-2H3/t17-,26?/m0/s1.

What are the key properties of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 511.60 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118958780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).