3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde

C62H62Cl2F5N3O4S2 — CID 143669691

About 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde

3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde (PubChem CID 143669691) has the molecular formula C62H62Cl2F5N3O4S2 and a molecular weight of 1143.22 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde.

Molecular Properties

• Compound Name: 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde
• PubChem CID: 143669691
• Molecular Formula: C62H62Cl2F5N3O4S2
• Molecular Weight: 1143.22 g/mol
• Exact Mass: 1141.35
• IUPAC Name: 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde
• SMILES: C=C(c1sc2c(F)ccc(F)c2c1Cl)N(Cc1cc(-c2cccnc2F)ccc1OC)C1CCCCC1.C=O.CC.COc1ccc(-c2ccc(C)cc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCCCC1
• InChI: InChI=1S/C30H28ClF2NO2S.C29H26ClF3N2OS.C2H6.CH2O/c1-18-8-10-19(11-9-18)20-12-15-25(36-2)21(16-20)17-34(22-6-4-3-5-7-22)30(35)29-27(31)26-23(32)13-14-24(33)28(26)37-29;1-17(27-26(30)25-22(31)11-12-23(32)28(25)37-27)35(20-7-4-3-5-8-20)16-19-15-18(10-13-24(19)36-2)21-9-6-14-34-29(21)33;2*1-2/h8-16,22H,3-7,17H2,1-2H3;6,9-15,20H,1,3-5,7-8,16H2,2H3;1-2H3;1H2
• InChIKey: AHEDSZTXDDDYRT-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 71.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.22
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde?

The IUPAC name of 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde (CID 143669691) is 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde.

What is the SMILES notation for 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde?

The canonical SMILES for 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde is C=C(c1sc2c(F)ccc(F)c2c1Cl)N(Cc1cc(-c2cccnc2F)ccc1OC)C1CCCCC1.C=O.CC.COc1ccc(-c2ccc(C)cc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCCCC1.

What is the InChIKey of 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde?

The InChIKey is AHEDSZTXDDDYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF2NO2S.C29H26ClF3N2OS.C2H6.CH2O/c1-18-8-10-19(11-9-18)20-12-15-25(36-2)21(16-20)17-34(22-6-4-3-5-7-22)30(35)29-27(31)26-23(32)13-14-24(33)28(26)37-29;1-17(27-26(30)25-22(31)11-12-23(32)28(25)37-27)35(20-7-4-3-5-8-20)16-19-15-18(10-13-24(19)36-2)21-9-6-14-34-29(21)33;2*1-2/h8-16,22H,3-7,17H2,1-2H3;6,9-15,20H,1,3-5,7-8,16H2,2H3;1-2H3;1H2.

What are the key properties of 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde?

3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde has a molecular weight of 1143.22 g/mol, XLogP of 18.48, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-cyclohexyl-4,7-difluoro-N-[[2-methoxy-5-(4-methylphenyl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[1-(3-chloro-4,7-difluoro-1-benzothiophen-2-yl)ethenyl]-N-[[5-(2-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]cyclohexanamine;ethane;formaldehyde is sourced from PubChem (CID 143669691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).