(2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H16N2O2S2 — CID 42209477

About (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42209477) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
• PubChem CID: 42209477
• Molecular Formula: C18H16N2O2S2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.07
• IUPAC Name: (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
• SMILES: Cc1ccc2c(c1)S[C@H](C(=O)NCc1coc(-c3cccs3)n1)C2
• InChI: InChI=1S/C18H16N2O2S2/c1-11-4-5-12-8-16(24-15(12)7-11)17(21)19-9-13-10-22-18(20-13)14-3-2-6-23-14/h2-7,10,16H,8-9H2,1H3,(H,19,21)/t16-/m0/s1
• InChIKey: ASNDAOPZFLBPHZ-INIZCTEOSA-N
• XLogP: 4.04
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?

The IUPAC name of (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42209477) is (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

What is the SMILES notation for (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?

The canonical SMILES for (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)S[C@H](C(=O)NCc1coc(-c3cccs3)n1)C2.

What is the InChIKey of (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?

The InChIKey is ASNDAOPZFLBPHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-11-4-5-12-8-16(24-15(12)7-11)17(21)19-9-13-10-22-18(20-13)14-3-2-6-23-14/h2-7,10,16H,8-9H2,1H3,(H,19,21)/t16-/m0/s1.

What are the key properties of (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?

(2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).