5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane

C38H40F6N4O5S — CID 160975141

About 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane

5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane (PubChem CID 160975141) has the molecular formula C38H40F6N4O5S and a molecular weight of 778.82 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane
• PubChem CID: 160975141
• Molecular Formula: C38H40F6N4O5S
• Molecular Weight: 778.82 g/mol
• Exact Mass: 778.26
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane
• SMILES: CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCC4)C2=O)C[C@@H]1C.S
• InChI: InChI=1S/C38H38F6N4O5.H2S/c1-4-8-27-19-29(36(37(39,40)41,38(42,43)44)53-23-25-9-6-5-7-10-25)13-14-30(27)47-17-16-46(21-24(47)2)32(49)22-48-33(50)35(3,45-34(48)51)28-12-11-26-15-18-52-31(26)20-28;/h4-14,19-20,24H,15-18,21-23H2,1-3H3,(H,45,51);1H2/t24-,35?;/m0./s1
• InChIKey: SYTLNAUBQPLCHL-BQGJFZHPSA-N
• XLogP: 6.81
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.82
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane?

The IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane (CID 160975141) is 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane.

What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane?

The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane is CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCC4)C2=O)C[C@@H]1C.S.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane?

The InChIKey is SYTLNAUBQPLCHL-BQGJFZHPSA-N. The full InChI is InChI=1S/C38H38F6N4O5.H2S/c1-4-8-27-19-29(36(37(39,40)41,38(42,43)44)53-23-25-9-6-5-7-10-25)13-14-30(27)47-17-16-46(21-24(47)2)32(49)22-48-33(50)35(3,45-34(48)51)28-12-11-26-15-18-52-31(26)20-28;/h4-14,19-20,24H,15-18,21-23H2,1-3H3,(H,45,51);1H2/t24-,35?;/m0./s1.

What are the key properties of 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane?

5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane has a molecular weight of 778.82 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-6-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;sulfane is sourced from PubChem (CID 160975141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).