7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide

C25H19Cl2NO3S — CID 146500568

About 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide

7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 146500568) has the molecular formula C25H19Cl2NO3S and a molecular weight of 484.40 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide
• PubChem CID: 146500568
• Molecular Formula: C25H19Cl2NO3S
• Molecular Weight: 484.40 g/mol
• Exact Mass: 483.05
• IUPAC Name: 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide
• SMILES: COc1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cccc(Cl)c3Cl)cccc12
• InChI: InChI=1S/C25H19Cl2NO3S/c1-30-22-17-9-4-8-15(14-7-5-10-18(26)21(14)27)23(17)32-24(22)25(29)28-19-12-13-31-20-11-3-2-6-16(19)20/h2-11,19H,12-13H2,1H3,(H,28,29)/t19-/m0/s1
• InChIKey: LQZMMYLIYUUDPN-IBGZPJMESA-N
• XLogP: 7.14
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.40
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide?

The IUPAC name of 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide (CID 146500568) is 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide?

The canonical SMILES for 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide is COc1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cccc(Cl)c3Cl)cccc12.

What is the InChIKey of 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide?

The InChIKey is LQZMMYLIYUUDPN-IBGZPJMESA-N. The full InChI is InChI=1S/C25H19Cl2NO3S/c1-30-22-17-9-4-8-15(14-7-5-10-18(26)21(14)27)23(17)32-24(22)25(29)28-19-12-13-31-20-11-3-2-6-16(19)20/h2-11,19H,12-13H2,1H3,(H,28,29)/t19-/m0/s1.

What are the key properties of 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide?

7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 484.40 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 146500568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).