N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C19H22N2O4S — CID 42896149

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

N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 42896149) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
• PubChem CID: 42896149
• Molecular Formula: C19H22N2O4S
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.13
• IUPAC Name: N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)CCNC(=O)c1cccs1)OC(C)C2
• InChI: InChI=1S/C19H22N2O4S/c1-3-24-16-10-13-9-12(2)25-15(13)11-14(16)21-18(22)6-7-20-19(23)17-5-4-8-26-17/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,20,23)(H,21,22)
• InChIKey: OGAYEHGKZYNFHR-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 42896149) is N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is CCOc1cc2c(cc1NC(=O)CCNC(=O)c1cccs1)OC(C)C2.

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

The InChIKey is OGAYEHGKZYNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-24-16-10-13-9-12(2)25-15(13)11-14(16)21-18(22)6-7-20-19(23)17-5-4-8-26-17/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H,20,23)(H,21,22).

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

N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 42896149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).