N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane

C61H62Cl2F3N5O3S2 — CID 143669960

About N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane

N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane (PubChem CID 143669960) has the molecular formula C61H62Cl2F3N5O3S2 and a molecular weight of 1105.23 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane
• PubChem CID: 143669960
• Molecular Formula: C61H62Cl2F3N5O3S2
• Molecular Weight: 1105.23 g/mol
• Exact Mass: 1103.36
• IUPAC Name: N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane
• SMILES: C=Cc1ccc(-c2ccc(C)c(CN(C(=O)c3sc4c(F)ccc(F)c4c3Cl)C3CCC(N)CC3)c2)cc1.CC.COc1ccc(-c2cccnc2)cc1CN(C(=O)c1sc2cccc(F)c2c1Cl)C1CCC(N)CC1
• InChI: InChI=1S/C31H29ClF2N2OS.C28H27ClFN3O2S.C2H6/c1-3-19-5-8-20(9-6-19)21-7-4-18(2)22(16-21)17-36(24-12-10-23(35)11-13-24)31(37)30-28(32)27-25(33)14-15-26(34)29(27)38-30;1-35-23-12-7-17(18-4-3-13-32-15-18)14-19(23)16-33(21-10-8-20(31)9-11-21)28(34)27-26(29)25-22(30)5-2-6-24(25)36-27;1-2/h3-9,14-16,23-24H,1,10-13,17,35H2,2H3;2-7,12-15,20-21H,8-11,16,31H2,1H3;1-2H3
• InChIKey: UUTQCHBYZARNGH-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.23
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane?

The IUPAC name of N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane (CID 143669960) is N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane.

What is the SMILES notation for N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane?

The canonical SMILES for N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane is C=Cc1ccc(-c2ccc(C)c(CN(C(=O)c3sc4c(F)ccc(F)c4c3Cl)C3CCC(N)CC3)c2)cc1.CC.COc1ccc(-c2cccnc2)cc1CN(C(=O)c1sc2cccc(F)c2c1Cl)C1CCC(N)CC1.

What is the InChIKey of N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane?

The InChIKey is UUTQCHBYZARNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClF2N2OS.C28H27ClFN3O2S.C2H6/c1-3-19-5-8-20(9-6-19)21-7-4-18(2)22(16-21)17-36(24-12-10-23(35)11-13-24)31(37)30-28(32)27-25(33)14-15-26(34)29(27)38-30;1-35-23-12-7-17(18-4-3-13-32-15-18)14-19(23)16-33(21-10-8-20(31)9-11-21)28(34)27-26(29)25-22(30)5-2-6-24(25)36-27;1-2/h3-9,14-16,23-24H,1,10-13,17,35H2,2H3;2-7,12-15,20-21H,8-11,16,31H2,1H3;1-2H3.

What are the key properties of N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane?

N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane has a molecular weight of 1105.23 g/mol, XLogP of 16.07, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminocyclohexyl)-3-chloro-N-[[5-(4-ethenylphenyl)-2-methylphenyl]methyl]-4,7-difluoro-1-benzothiophene-2-carboxamide;N-(4-aminocyclohexyl)-3-chloro-4-fluoro-N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;ethane is sourced from PubChem (CID 143669960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).