N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide

C20H20N4O4S — CID 56514862

IUPACN-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C20H20N4O4S/c21-17(25)9-10-22-20(28)13-5-1-2-6-14(13)23-18(26)11-24-15-7-3-4-8-16(15)29-12-19(24)27/h1-8H,9-12H2,(H2,21,25)(H,22,28)(H,23,26)
InChIKeyOZCIAUWMGDJROC-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.37
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide (PubChem CID 56514862) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
PubChem CID56514862
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C20H20N4O4S/c21-17(25)9-10-22-20(28)13-5-1-2-6-14(13)23-18(26)11-24-15-7-3-4-8-16(15)29-12-19(24)27/h1-8H,9-12H2,(H2,21,25)(H,22,28)(H,23,26)
InChIKeyOZCIAUWMGDJROC-UHFFFAOYSA-N
XLogP1.37
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 24563044
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30885056
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196164
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30688297
N-(2,5-dibromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39166500
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide (CID 56514862) is N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide?
The InChIKey is OZCIAUWMGDJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c21-17(25)9-10-22-20(28)13-5-1-2-6-14(13)23-18(26)11-24-15-7-3-4-8-16(15)29-12-19(24)27/h1-8H,9-12H2,(H2,21,25)(H,22,28)(H,23,26).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide has a molecular weight of 412.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56514862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).