5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C18H20BrN3O3S — CID 59411203

About 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 59411203) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 59411203
• Molecular Formula: C18H20BrN3O3S
• Molecular Weight: 438.35 g/mol
• Exact Mass: 437.04
• IUPAC Name: 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CCCNc1ccc(N2C[C@H](CNC(=O)c3ccc(Br)s3)OC2=O)cc1
• InChI: InChI=1S/C18H20BrN3O3S/c1-2-9-20-12-3-5-13(6-4-12)22-11-14(25-18(22)24)10-21-17(23)15-7-8-16(19)26-15/h3-8,14,20H,2,9-11H2,1H3,(H,21,23)/t14-/m0/s1
• InChIKey: XIHXRJRCBUEBCZ-AWEZNQCLSA-N
• XLogP: 4.09
• TPSA: 70.67 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	438.35
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 59411203) is 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCCNc1ccc(N2C[C@H](CNC(=O)c3ccc(Br)s3)OC2=O)cc1.

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

The InChIKey is XIHXRJRCBUEBCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c1-2-9-20-12-3-5-13(6-4-12)22-11-14(25-18(22)24)10-21-17(23)15-7-8-16(19)26-15/h3-8,14,20H,2,9-11H2,1H3,(H,21,23)/t14-/m0/s1.

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

5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).