N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C19H18N2O4S — CID 95608703

About N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 95608703) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 95608703
• Molecular Formula: C19H18N2O4S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.10
• IUPAC Name: N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@H](C)C3)on1
• InChI: InChI=1S/C19H18N2O4S/c1-10-5-6-12-15(8-10)26-19(16(12)17(22)13-4-3-7-24-13)20-18(23)14-9-11(2)21-25-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,23)/t10-/m0/s1
• InChIKey: ZVHNYYFUFINQFV-JTQLQIEISA-N
• XLogP: 4.25
• TPSA: 85.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 95608703) is N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@H](C)C3)on1.

What is the InChIKey of N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is ZVHNYYFUFINQFV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-10-5-6-12-15(8-10)26-19(16(12)17(22)13-4-3-7-24-13)20-18(23)14-9-11(2)21-25-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,23)/t10-/m0/s1.

What are the key properties of N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-3-(furan-2-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95608703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).