N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

About N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10348640) has the molecular formula C28H34FN5O7S and a molecular weight of 603.67 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name	N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID	10348640
Molecular Formula	C28H34FN5O7S
Molecular Weight	603.67 g/mol
Exact Mass	603.22
IUPAC Name	N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES	CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNS(C)(=O)=O)cc4)CC3)c(F)c2)C(=O)O1
InChI	InChI=1S/C28H34FN5O7S/c1-19(35)30-17-23-18-34(28(38)41-23)22-7-8-25(24(29)15-22)32-11-13-33(14-12-32)27(37)10-9-26(36)21-5-3-20(4-6-21)16-31-42(2,39)40/h3-8,15,23,31H,9-14,16-18H2,1-2H3,(H,30,35)/t23-/m0/s1
InChIKey	BSPDFNGLXYPWNU-QHCPKHFHSA-N
XLogP	1.65
TPSA	145.43 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.67
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10348640) is N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNS(C)(=O)=O)cc4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is BSPDFNGLXYPWNU-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34FN5O7S/c1-19(35)30-17-23-18-34(28(38)41-23)22-7-8-25(24(29)15-22)32-11-13-33(14-12-32)27(37)10-9-26(36)21-5-3-20(4-6-21)16-31-42(2,39)40/h3-8,15,23,31H,9-14,16-18H2,1-2H3,(H,30,35)/t23-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 603.67 g/mol, XLogP of 1.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10348640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).