N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H24N2O4S — CID 41095511

About N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 41095511) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 41095511
• Molecular Formula: C24H24N2O4S
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.15
• IUPAC Name: N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1cccc(NC(=O)c3cccs3)c1)O[C@@H](C)C2
• InChI: InChI=1S/C24H24N2O4S/c1-3-29-20-12-17-10-15(2)30-21(17)13-18(20)14-25-23(27)16-6-4-7-19(11-16)26-24(28)22-8-5-9-31-22/h4-9,11-13,15H,3,10,14H2,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1
• InChIKey: JIRCNJHTDWGUKU-HNNXBMFYSA-N
• XLogP: 4.65
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 41095511) is N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CCOc1cc2c(cc1CNC(=O)c1cccc(NC(=O)c3cccs3)c1)O[C@@H](C)C2.

What is the InChIKey of N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is JIRCNJHTDWGUKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-3-29-20-12-17-10-15(2)30-21(17)13-18(20)14-25-23(27)16-6-4-7-19(11-16)26-24(28)22-8-5-9-31-22/h4-9,11-13,15H,3,10,14H2,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1.

What are the key properties of N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?

N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 41095511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).