3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

C92H98Cl3N9O3S3 — CID 160989994

About 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 160989994) has the molecular formula C92H98Cl3N9O3S3 and a molecular weight of 1580.42 g/mol. Its IUPAC name is 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
• PubChem CID: 160989994
• Molecular Formula: C92H98Cl3N9O3S3
• Molecular Weight: 1580.42 g/mol
• Exact Mass: 1577.60
• IUPAC Name: 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
• SMILES: C=CCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1.CCCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1.CCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1
• InChI: InChI=1S/C31H34ClN3OS.C31H32ClN3OS.C30H32ClN3OS/c2*1-3-19-34(2)25-11-13-26(14-12-25)35(31(36)30-29(32)27-9-4-5-10-28(27)37-30)21-22-7-6-8-24(20-22)23-15-17-33-18-16-23;1-3-33(2)24-11-13-25(14-12-24)34(30(35)29-28(31)26-9-4-5-10-27(26)36-29)20-21-7-6-8-23(19-21)22-15-17-32-18-16-22/h4-10,15-18,20,25-26H,3,11-14,19,21H2,1-2H3;3-10,15-18,20,25-26H,1,11-14,19,21H2,2H3;4-10,15-19,24-25H,3,11-14,20H2,1-2H3
• InChIKey: TUMLAGIJTHQVNM-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 109.32 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.42
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 160989994) is 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide is C=CCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1.CCCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1.CCN(C)C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1.

What is the InChIKey of 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide?

The InChIKey is TUMLAGIJTHQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3OS.C31H32ClN3OS.C30H32ClN3OS/c2*1-3-19-34(2)25-11-13-26(14-12-25)35(31(36)30-29(32)27-9-4-5-10-28(27)37-30)21-22-7-6-8-24(20-22)23-15-17-33-18-16-23;1-3-33(2)24-11-13-25(14-12-24)34(30(35)29-28(31)26-9-4-5-10-27(26)36-29)20-21-7-6-8-23(19-21)22-15-17-32-18-16-22/h4-10,15-18,20,25-26H,3,11-14,19,21H2,1-2H3;3-10,15-18,20,25-26H,1,11-14,19,21H2,2H3;4-10,15-19,24-25H,3,11-14,20H2,1-2H3.

What are the key properties of 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide?

3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 1580.42 g/mol, XLogP of 23.12, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 160989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).