N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide

C32H43N5O6S — CID 25008888

About N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide

N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide (PubChem CID 25008888) has the molecular formula C32H43N5O6S and a molecular weight of 625.79 g/mol. Its IUPAC name is N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide
• PubChem CID: 25008888
• Molecular Formula: C32H43N5O6S
• Molecular Weight: 625.79 g/mol
• Exact Mass: 625.29
• IUPAC Name: N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide
• SMILES: COCCN1CCN(c2nc(-c3ccc(C(=O)N[C@H](C(=O)N4C[C@H](OC)[C@@H]5OCC(=O)[C@H]54)C4CCCCC4)cc3)cs2)CC1
• InChI: InChI=1S/C32H43N5O6S/c1-41-17-16-35-12-14-36(15-13-35)32-33-24(20-44-32)21-8-10-23(11-9-21)30(39)34-27(22-6-4-3-5-7-22)31(40)37-18-26(42-2)29-28(37)25(38)19-43-29/h8-11,20,22,26-29H,3-7,12-19H2,1-2H3,(H,34,39)/t26-,27-,28+,29-/m0/s1
• InChIKey: LZNVRUFRFVRGCQ-FKWFRFQNSA-N
• XLogP: 2.45
• TPSA: 113.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.79
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide?

The IUPAC name of N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide (CID 25008888) is N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide.

What is the SMILES notation for N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide?

The canonical SMILES for N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide is COCCN1CCN(c2nc(-c3ccc(C(=O)N[C@H](C(=O)N4C[C@H](OC)[C@@H]5OCC(=O)[C@H]54)C4CCCCC4)cc3)cs2)CC1.

What is the InChIKey of N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide?

The InChIKey is LZNVRUFRFVRGCQ-FKWFRFQNSA-N. The full InChI is InChI=1S/C32H43N5O6S/c1-41-17-16-35-12-14-36(15-13-35)32-33-24(20-44-32)21-8-10-23(11-9-21)30(39)34-27(22-6-4-3-5-7-22)31(40)37-18-26(42-2)29-28(37)25(38)19-43-29/h8-11,20,22,26-29H,3-7,12-19H2,1-2H3,(H,34,39)/t26-,27-,28+,29-/m0/s1.

What are the key properties of N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide?

N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 625.79 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[(3aS,6S,6aR)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 25008888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).