N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

C22H18N4O4S — CID 55492519

IUPACN-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESNC(=O)C(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C22H18N4O4S/c23-20(27)19(14-6-2-1-3-7-14)25-22(28)15-10-12-16(13-11-15)24-21-17-8-4-5-9-18(17)31(29,30)26-21/h1-13,19H,(H2,23,27)(H,24,26)(H,25,28)
InChIKeyHIBCLCRKJPZUHI-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.20
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (PubChem CID 55492519) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
PubChem CID55492519
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESNC(=O)C(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C22H18N4O4S/c23-20(27)19(14-6-2-1-3-7-14)25-22(28)15-10-12-16(13-11-15)24-21-17-8-4-5-9-18(17)31(29,30)26-21/h1-13,19H,(H2,23,27)(H,24,26)(H,25,28)
InChIKeyHIBCLCRKJPZUHI-UHFFFAOYSA-N
XLogP2.20
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide with MolForge

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Related Compounds

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propan-2-ylbenzamide
CID 18107944
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CID 29371074
N-(2-anilino-2-oxoethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55860499
N-(4-aminocyclohexyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 119477085
N-[cyclopentyl(thiophen-2-yl)methyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 46457317
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloro-2-phenylacetate
CID 21213578
N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55866596
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[4-(benzimidazol-1-yl)phenyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55471614
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34950780
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (CID 55492519) is N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is NC(=O)C(NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The InChIKey is HIBCLCRKJPZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c23-20(27)19(14-6-2-1-3-7-14)25-22(28)15-10-12-16(13-11-15)24-21-17-8-4-5-9-18(17)31(29,30)26-21/h1-13,19H,(H2,23,27)(H,24,26)(H,25,28).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide has a molecular weight of 434.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is sourced from PubChem (CID 55492519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).