5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H21ClF2N4O3S — CID 118733723

About 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 118733723) has the molecular formula C22H21ClF2N4O3S and a molecular weight of 494.95 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 118733723
• Molecular Formula: C22H21ClF2N4O3S
• Molecular Weight: 494.95 g/mol
• Exact Mass: 494.10
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CN(C)Cc1cccn1-c1cc(F)c(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1
• InChI: InChI=1S/C22H21ClF2N4O3S/c1-27(2)11-13-4-3-7-28(13)14-8-16(24)20(17(25)9-14)29-12-15(32-22(29)31)10-26-21(30)18-5-6-19(23)33-18/h3-9,15H,10-12H2,1-2H3,(H,26,30)/t15-/m0/s1
• InChIKey: DBYBALHZXMMARQ-HNNXBMFYSA-N
• XLogP: 4.29
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.95
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 118733723) is 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CN(C)Cc1cccn1-c1cc(F)c(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is DBYBALHZXMMARQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClF2N4O3S/c1-27(2)11-13-4-3-7-28(13)14-8-16(24)20(17(25)9-14)29-12-15(32-22(29)31)10-26-21(30)18-5-6-19(23)33-18/h3-9,15H,10-12H2,1-2H3,(H,26,30)/t15-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-[2-[(dimethylamino)methyl]pyrrol-1-yl]-2,6-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118733723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).