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

C25H30N4O4 — CID 69095081

IUPACN-[(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
SMILESC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C2(C)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C25H30N4O4/c1-16-13-29(20-19(30)14-33-21(16)20)24(32)22(25(2)8-3-4-9-25)27-23(31)17-6-5-7-18(12-17)28-11-10-26-15-28/h5-7,10-12,15-16,20-22H,3-4,8-9,13-14H2,1-2H3,(H,27,31)/t16-,20-,21-,22-/m1/s1
InChIKeyANBJWZWDJBAXPS-XUFNMVPLSA-N
MW450.54 g/mol
LogP2.37
Rot. Bonds5

About 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

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 (PubChem CID 69095081) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID69095081
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[(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
SMILESC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C2(C)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C25H30N4O4/c1-16-13-29(20-19(30)14-33-21(16)20)24(32)22(25(2)8-3-4-9-25)27-23(31)17-6-5-7-18(12-17)28-11-10-26-15-28/h5-7,10-12,15-16,20-22H,3-4,8-9,13-14H2,1-2H3,(H,27,31)/t16-,20-,21-,22-/m1/s1
InChIKeyANBJWZWDJBAXPS-XUFNMVPLSA-N
XLogP2.37
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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-methylcyclopentyl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 44538205
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-[(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,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-pyrazol-1-ylbenzamide;sulfane
CID 160645037
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(4,4-dimethylcyclohexyl)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide;methane;sulfane
CID 160745829
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
CID 99819921
N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 44539316
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
methyl (2R,3S)-3-[(3-imidazol-1-ylbenzoyl)amino]-2-methyl-3-phenylpropanoate
CID 95974182
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-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C2(C)CCCC2)[C@@H]2C(=O)CO[C@H]12.
What is the InChIKey of 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?
The InChIKey is ANBJWZWDJBAXPS-XUFNMVPLSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-16-13-29(20-19(30)14-33-21(16)20)24(32)22(25(2)8-3-4-9-25)27-23(31)17-6-5-7-18(12-17)28-11-10-26-15-28/h5-7,10-12,15-16,20-22H,3-4,8-9,13-14H2,1-2H3,(H,27,31)/t16-,20-,21-,22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 450.54 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69095081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).