N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide

C20H21N3O5S — CID 3154685

IUPACN-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C20H21N3O5S/c1-3-13(2)21-19(25)14-8-4-6-10-16(14)22-18(24)12-23-20(26)15-9-5-7-11-17(15)29(23,27)28/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLYAFHAJHCRJKRJ-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.00
Rot. Bonds6

About N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide (PubChem CID 3154685) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide
PubChem CID3154685
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C20H21N3O5S/c1-3-13(2)21-19(25)14-8-4-6-10-16(14)22-18(24)12-23-20(26)15-9-5-7-11-17(15)29(23,27)28/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLYAFHAJHCRJKRJ-UHFFFAOYSA-N
XLogP2.00
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-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

Isatin Sulfonamide 26
CID 9800285
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-[4-(1-azepanylsulfonyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 2206420
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.181
CID 162533685
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
Isatin Sulfonamide 25
CID 9863271
Isatin Sulfonamide 28
CID 9952756
N-[(4-methylphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 900655

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide (CID 3154685) is N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide?
The InChIKey is LYAFHAJHCRJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-13(2)21-19(25)14-8-4-6-10-16(14)22-18(24)12-23-20(26)15-9-5-7-11-17(15)29(23,27)28/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 3154685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).