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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C25H29N3O4S — CID 44539219

About 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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide

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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 44539219) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

• Compound Name: 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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
• PubChem CID: 44539219
• Molecular Formula: C25H29N3O4S
• Molecular Weight: 467.59 g/mol
• Exact Mass: 467.19
• IUPAC Name: 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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
• SMILES: Cc1nc(-c2ccc(C(=O)N[C@H](C(=O)N3C[C@@H](C)[C@H]4OCC(=O)[C@H]43)C3CCCC3)cc2)cs1
• InChI: InChI=1S/C25H29N3O4S/c1-14-11-28(22-20(29)12-32-23(14)22)25(31)21(17-5-3-4-6-17)27-24(30)18-9-7-16(8-10-18)19-13-33-15(2)26-19/h7-10,13-14,17,21-23H,3-6,11-12H2,1-2H3,(H,27,30)/t14-,21+,22-,23-/m1/s1
• InChIKey: RIVPNDLCBVXTIV-ZDTCWRRLSA-N
• XLogP: 3.22
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.59
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?

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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 44539219) is 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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?

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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)N[C@H](C(=O)N3C[C@@H](C)[C@H]4OCC(=O)[C@H]43)C3CCCC3)cc2)cs1.

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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?

The InChIKey is RIVPNDLCBVXTIV-ZDTCWRRLSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-14-11-28(22-20(29)12-32-23(14)22)25(31)21(17-5-3-4-6-17)27-24(30)18-9-7-16(8-10-18)19-13-33-15(2)26-19/h7-10,13-14,17,21-23H,3-6,11-12H2,1-2H3,(H,27,30)/t14-,21+,22-,23-/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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide?

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]-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.22, 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-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 44539219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).