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

C19H19N3O5S — CID 170599528

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

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide (PubChem CID 170599528) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 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.

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
• PubChem CID: 170599528
• Molecular Formula: C19H19N3O5S
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.10
• 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
• SMILES: Cc1sc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC(CO)C(N)=O
• InChI: InChI=1S/C19H19N3O5S/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/h2-7,14,23H,8-9H2,1H3,(H2,20,24)(H,21,25)(H,22,26)
• InChIKey: WLJGDWLRNJHQOK-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 134.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	1.05
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?

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 (CID 170599528) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide.

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?

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 is 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?

The InChIKey is WLJGDWLRNJHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/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/h2-7,14,23H,8-9H2,1H3,(H2,20,24)(H,21,25)(H,22,26).

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?

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.05, 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 is sourced from PubChem (CID 170599528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).