N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide

C24H27N5O5S — CID 135204592

IUPACN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cncs2)C(C)C2CC2)C1=O
InChIInChI=1S/C24H27N5O5S/c1-14(15-3-4-15)28(11-18-10-26-13-35-18)20(30)12-29-21(31)24(34-23(29)33)8-7-16-9-17(5-6-19(16)24)27-22(32)25-2/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H2,25,27,32)/t14?,24-/m1/s1
InChIKeyPMXMBMLAUCGMMS-PYFQUHSISA-N
MW497.58 g/mol
LogP2.84
Rot. Bonds7

About N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide

N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide (PubChem CID 135204592) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
PubChem CID135204592
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cncs2)C(C)C2CC2)C1=O
InChIInChI=1S/C24H27N5O5S/c1-14(15-3-4-15)28(11-18-10-26-13-35-18)20(30)12-29-21(31)24(34-23(29)33)8-7-16-9-17(5-6-19(16)24)27-22(32)25-2/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H2,25,27,32)/t14?,24-/m1/s1
InChIKeyPMXMBMLAUCGMMS-PYFQUHSISA-N
XLogP2.84
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 135203853
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957994
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide
CID 135204069
(2R)-2-amino-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]propanamide
CID 118958233
(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 118958317
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
2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
CID 118957658
N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
CID 118957606
[1-[[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 118958397
tert-butyl 3-[1-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]ethyl]azetidine-1-carboxylate
CID 118957142
2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 134327296
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 171904153

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide (CID 135204592) is N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cncs2)C(C)C2CC2)C1=O.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The InChIKey is PMXMBMLAUCGMMS-PYFQUHSISA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-14(15-3-4-15)28(11-18-10-26-13-35-18)20(30)12-29-21(31)24(34-23(29)33)8-7-16-9-17(5-6-19(16)24)27-22(32)25-2/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H2,25,27,32)/t14?,24-/m1/s1.
What are the key properties of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide has a molecular weight of 497.58 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 135204592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).