5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C18H18ClN3O5S — CID 21070732

About 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 21070732) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 21070732
• Molecular Formula: C18H18ClN3O5S
• Molecular Weight: 423.88 g/mol
• Exact Mass: 423.07
• IUPAC Name: 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: COCC(=O)Nc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
• InChI: InChI=1S/C18H18ClN3O5S/c1-26-10-16(23)21-11-2-4-12(5-3-11)22-9-13(27-18(22)25)8-20-17(24)14-6-7-15(19)28-14/h2-7,13H,8-10H2,1H3,(H,20,24)(H,21,23)
• InChIKey: BKDSZEWNGUNWLC-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.88
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 21070732) is 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is COCC(=O)Nc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1.

What is the InChIKey of 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is BKDSZEWNGUNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c1-26-10-16(23)21-11-2-4-12(5-3-11)22-9-13(27-18(22)25)8-20-17(24)14-6-7-15(19)28-14/h2-7,13H,8-10H2,1H3,(H,20,24)(H,21,23).

What are the key properties of 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).