2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

C22H24N4O4S — CID 86723059

IUPAC2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCC[C@@H]2CN(c3ccc4c(c3)NC(=O)CS4)C(=O)O2)c(N)c1
InChIInChI=1S/C22H24N4O4S/c1-13-4-6-16(17(23)9-13)21(28)24-8-2-3-15-11-26(22(29)30-15)14-5-7-19-18(10-14)25-20(27)12-31-19/h4-7,9-10,15H,2-3,8,11-12,23H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeyZRXVMRKLKCSVSD-OAHLLOKOSA-N
MW440.53 g/mol
LogP3.16
Rot. Bonds6

About 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (PubChem CID 86723059) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
PubChem CID86723059
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCC[C@@H]2CN(c3ccc4c(c3)NC(=O)CS4)C(=O)O2)c(N)c1
InChIInChI=1S/C22H24N4O4S/c1-13-4-6-16(17(23)9-13)21(28)24-8-2-3-15-11-26(22(29)30-15)14-5-7-19-18(10-14)25-20(27)12-31-19/h4-7,9-10,15H,2-3,8,11-12,23H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1
InChIKeyZRXVMRKLKCSVSD-OAHLLOKOSA-N
XLogP3.16
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The IUPAC name of 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (CID 86723059) is 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.
What is the SMILES notation for 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The canonical SMILES for 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is Cc1ccc(C(=O)NCCC[C@@H]2CN(c3ccc4c(c3)NC(=O)CS4)C(=O)O2)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The InChIKey is ZRXVMRKLKCSVSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-13-4-6-16(17(23)9-13)21(28)24-8-2-3-15-11-26(22(29)30-15)14-5-7-19-18(10-14)25-20(27)12-31-19/h4-7,9-10,15H,2-3,8,11-12,23H2,1H3,(H,24,28)(H,25,27)/t15-/m1/s1.
What are the key properties of 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide has a molecular weight of 440.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is sourced from PubChem (CID 86723059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).