N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide

C26H35N3O5 — CID 69004872

IUPACN-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC(C(=O)N2CC(C)[C@H]3OCC(=O)[C@H]32)C2(C)CCCC2)cc1
InChIInChI=1S/C26H35N3O5/c1-15(2)23(31)27-18-9-7-17(8-10-18)24(32)28-22(26(4)11-5-6-12-26)25(33)29-13-16(3)21-20(29)19(30)14-34-21/h7-10,15-16,20-22H,5-6,11-14H2,1-4H3,(H,27,31)(H,28,32)/t16?,20-,21-,22?/m1/s1
InChIKeyRHFIBVXXOHUALR-YMFKYVHRSA-N
MW469.58 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide

N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide (PubChem CID 69004872) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide
PubChem CID69004872
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC(C(=O)N2CC(C)[C@H]3OCC(=O)[C@H]32)C2(C)CCCC2)cc1
InChIInChI=1S/C26H35N3O5/c1-15(2)23(31)27-18-9-7-17(8-10-18)24(32)28-22(26(4)11-5-6-12-26)25(33)29-13-16(3)21-20(29)19(30)14-34-21/h7-10,15-16,20-22H,5-6,11-14H2,1-4H3,(H,27,31)(H,28,32)/t16?,20-,21-,22?/m1/s1
InChIKeyRHFIBVXXOHUALR-YMFKYVHRSA-N
XLogP2.77
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide with MolForge

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Related Compounds

N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-acetamidobenzamide
CID 69007030
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-[1-(iodomethyl)cyclopentyl]-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide
CID 69003673
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-sulfamoylbenzamide
CID 44538307
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 44538205
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 44538613
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-2-oxo-3H-1,3-benzothiazole-6-carboxamide
CID 44538311
N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-3-imidazol-1-ylbenzamide
CID 69095081
N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-2-amino-1,3-benzothiazole-6-carboxamide
CID 44539419
N-[1-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-acetamidobenzamide
CID 69005866
N-[(2S)-1-[(3aS)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(dimethylamino)benzamide;ethene
CID 143391145
N-[(2S)-1-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-sulfamoylbenzamide
CID 44538820
N-[1-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67048371

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide (CID 69004872) is N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NC(C(=O)N2CC(C)[C@H]3OCC(=O)[C@H]32)C2(C)CCCC2)cc1.
What is the InChIKey of N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is RHFIBVXXOHUALR-YMFKYVHRSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-15(2)23(31)27-18-9-7-17(8-10-18)24(32)28-22(26(4)11-5-6-12-26)25(33)29-13-16(3)21-20(29)19(30)14-34-21/h7-10,15-16,20-22H,5-6,11-14H2,1-4H3,(H,27,31)(H,28,32)/t16?,20-,21-,22?/m1/s1.
What are the key properties of N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide?
N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 469.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(1-methylcyclopentyl)-2-oxoethyl]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 69004872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).