N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane

C21H25N3O5S — CID 170599527

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane (PubChem CID 170599527) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane
• PubChem CID: 170599527
• Molecular Formula: C21H25N3O5S
• Molecular Weight: 431.51 g/mol
• Exact Mass: 431.15
• IUPAC Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane
• SMILES: CC.Cc1sc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC(CO)C(N)=O
• InChI: InChI=1S/C19H19N3O5S.C2H6/c1-10-16(19(26)22-14(8-23)17(20)24)13-7-12(4-5-15(13)28-10)27-9-11-3-2-6-21-18(11)25;1-2/h2-7,14,23H,8-9H2,1H3,(H2,20,24)(H,21,25)(H,22,26);1-2H3
• InChIKey: HDDMKHIXEPMSSP-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 134.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.51
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane?

The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane (CID 170599527) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane.

What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane?

The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane is CC.Cc1sc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC(CO)C(N)=O.

What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane?

The InChIKey is HDDMKHIXEPMSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S.C2H6/c1-10-16(19(26)22-14(8-23)17(20)24)13-7-12(4-5-15(13)28-10)27-9-11-3-2-6-21-18(11)25;1-2/h2-7,14,23H,8-9H2,1H3,(H2,20,24)(H,21,25)(H,22,26);1-2H3.

What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane?

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane has a molecular weight of 431.51 g/mol, XLogP of 2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane is sourced from PubChem (CID 170599527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).