3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

C18H19Cl2NO4S2 — CID 41067864

About 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 41067864) has the molecular formula C18H19Cl2NO4S2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
• PubChem CID: 41067864
• Molecular Formula: C18H19Cl2NO4S2
• Molecular Weight: 448.39 g/mol
• Exact Mass: 447.01
• IUPAC Name: 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
• SMILES: COc1c(Cl)cc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1Cl
• InChI: InChI=1S/C18H19Cl2NO4S2/c1-11-3-5-26-16(11)9-21(13-4-6-27(23,24)10-13)18(22)12-7-14(19)17(25-2)15(20)8-12/h3,5,7-8,13H,4,6,9-10H2,1-2H3/t13-/m0/s1
• InChIKey: LSOCTFVEIRRGIX-ZDUSSCGKSA-N
• XLogP: 4.20
• TPSA: 63.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.39
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The IUPAC name of 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 41067864) is 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is COc1c(Cl)cc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1Cl.

What is the InChIKey of 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?

The InChIKey is LSOCTFVEIRRGIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19Cl2NO4S2/c1-11-3-5-26-16(11)9-21(13-4-6-27(23,24)10-13)18(22)12-7-14(19)17(25-2)15(20)8-12/h3,5,7-8,13H,4,6,9-10H2,1-2H3/t13-/m0/s1.

What are the key properties of 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?

3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 448.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 41067864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).