5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H25ClN4O4S — CID 59586676

About 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 59586676) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 59586676
• Molecular Formula: C22H25ClN4O4S
• Molecular Weight: 476.99 g/mol
• Exact Mass: 476.13
• IUPAC Name: 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CCCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCCNC1=O
• InChI: InChI=1S/C22H25ClN4O4S/c1-2-4-14-11-15(5-6-17(14)26-10-3-9-24-21(26)29)27-13-16(31-22(27)30)12-25-20(28)18-7-8-19(23)32-18/h5-8,11,16H,2-4,9-10,12-13H2,1H3,(H,24,29)(H,25,28)/t16-/m0/s1
• InChIKey: SMBFYPCYAICOKF-INIZCTEOSA-N
• XLogP: 4.03
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.99
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 59586676) is 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCCNC1=O.

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

The InChIKey is SMBFYPCYAICOKF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-2-4-14-11-15(5-6-17(14)26-10-3-9-24-21(26)29)27-13-16(31-22(27)30)12-25-20(28)18-7-8-19(23)32-18/h5-8,11,16H,2-4,9-10,12-13H2,1H3,(H,24,29)(H,25,28)/t16-/m0/s1.

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

5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 476.99 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-diazinan-1-yl)-3-propylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59586676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).