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

C30H35N3O6S — CID 118958458

IUPACN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCS(=O)(=O)CC4)ccc32)C1=O
InChIInChI=1S/C30H35N3O6S/c1-20(22-7-8-22)32(18-21-5-3-2-4-6-21)27(34)19-33-28(35)30(39-29(33)36)14-11-23-17-25(9-10-26(23)30)31-24-12-15-40(37,38)16-13-24/h2-6,9-10,17,20,22,24,31H,7-8,11-16,18-19H2,1H3/t20-,30?/m0/s1
InChIKeyKTSYPRBUPCVJCR-JGZNSJETSA-N
MW565.69 g/mol
LogP3.62
Rot. Bonds8

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

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118958458) has the molecular formula C30H35N3O6S and a molecular weight of 565.69 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
PubChem CID118958458
Molecular FormulaC30H35N3O6S
Molecular Weight565.69 g/mol
Exact Mass565.22
IUPAC NameN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCS(=O)(=O)CC4)ccc32)C1=O
InChIInChI=1S/C30H35N3O6S/c1-20(22-7-8-22)32(18-21-5-3-2-4-6-21)27(34)19-33-28(35)30(39-29(33)36)14-11-23-17-25(9-10-26(23)30)31-24-12-15-40(37,38)16-13-24/h2-6,9-10,17,20,22,24,31H,7-8,11-16,18-19H2,1H3/t20-,30?/m0/s1
InChIKeyKTSYPRBUPCVJCR-JGZNSJETSA-N
XLogP3.62
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.69
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-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-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118958458) is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-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-[(1,1-dioxothian-4-yl)amino]-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-[(1,1-dioxothian-4-yl)amino]-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(NC4CCS(=O)(=O)CC4)ccc32)C1=O.
What is the InChIKey of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The InChIKey is KTSYPRBUPCVJCR-JGZNSJETSA-N. The full InChI is InChI=1S/C30H35N3O6S/c1-20(22-7-8-22)32(18-21-5-3-2-4-6-21)27(34)19-33-28(35)30(39-29(33)36)14-11-23-17-25(9-10-26(23)30)31-24-12-15-40(37,38)16-13-24/h2-6,9-10,17,20,22,24,31H,7-8,11-16,18-19H2,1H3/t20-,30?/m0/s1.
What are the key properties of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 565.69 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118958458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).