N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C26H29ClFN5O7S — CID 68502173

About N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 68502173) has the molecular formula C26H29ClFN5O7S and a molecular weight of 610.06 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 68502173
• Molecular Formula: C26H29ClFN5O7S
• Molecular Weight: 610.06 g/mol
• Exact Mass: 609.15
• IUPAC Name: N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CC(CCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1)NC(=O)CN
• InChI: InChI=1S/C26H29ClFN5O7S/c1-15(30-22(34)11-29)2-7-23(35)33(25(37)20-5-6-21(27)41-20)13-17-12-32(26(38)40-17)19-4-3-16(10-18(19)28)31-8-9-39-14-24(31)36/h3-6,10,15,17H,2,7-9,11-14,29H2,1H3,(H,30,34)/t15?,17-/m1/s1
• InChIKey: QXHDRDYRZGCZNU-OMOCHNIRSA-N
• XLogP: 2.14
• TPSA: 151.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.06
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 68502173) is N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CC(CCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1)NC(=O)CN.

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

The InChIKey is QXHDRDYRZGCZNU-OMOCHNIRSA-N. The full InChI is InChI=1S/C26H29ClFN5O7S/c1-15(30-22(34)11-29)2-7-23(35)33(25(37)20-5-6-21(27)41-20)13-17-12-32(26(38)40-17)19-4-3-16(10-18(19)28)31-8-9-39-14-24(31)36/h3-6,10,15,17H,2,7-9,11-14,29H2,1H3,(H,30,34)/t15?,17-/m1/s1.

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

N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 610.06 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-aminoacetyl)amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 68502173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).