5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C27H29ClN4O5S — CID 59410217

About 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 59410217) has the molecular formula C27H29ClN4O5S and a molecular weight of 557.07 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 59410217
• Molecular Formula: C27H29ClN4O5S
• Molecular Weight: 557.07 g/mol
• Exact Mass: 556.15
• IUPAC Name: 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCN2CCOCC2)c1=O
• InChI: InChI=1S/C27H29ClN4O5S/c1-18-15-20(32-17-21(37-27(32)35)16-29-25(33)23-6-7-24(28)38-23)4-5-22(18)31-9-2-3-19(26(31)34)8-10-30-11-13-36-14-12-30/h2-7,9,15,21H,8,10-14,16-17H2,1H3,(H,29,33)/t21-/m0/s1
• InChIKey: DDEJKBHZLPVYHU-NRFANRHFSA-N
• XLogP: 3.49
• TPSA: 93.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.07
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 59410217) is 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCN2CCOCC2)c1=O.

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

The InChIKey is DDEJKBHZLPVYHU-NRFANRHFSA-N. The full InChI is InChI=1S/C27H29ClN4O5S/c1-18-15-20(32-17-21(37-27(32)35)16-29-25(33)23-6-7-24(28)38-23)4-5-22(18)31-9-2-3-19(26(31)34)8-10-30-11-13-36-14-12-30/h2-7,9,15,21H,8,10-14,16-17H2,1H3,(H,29,33)/t21-/m0/s1.

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

5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 557.07 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[3-methyl-4-[3-(2-morpholin-4-ylethyl)-2-oxo-1-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59410217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).