N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

C13H15N3O3S — CID 18146222

IUPACN-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCSC2=O)c1
InChIInChI=1S/C13H15N3O3S/c1-14-12(18)9-3-2-4-10(7-9)15-11(17)8-16-5-6-20-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,17)
InChIKeyYDYQKKMMYGEIAM-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (PubChem CID 18146222) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
PubChem CID18146222
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CCSC2=O)c1
InChIInChI=1S/C13H15N3O3S/c1-14-12(18)9-3-2-4-10(7-9)15-11(17)8-16-5-6-20-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,17)
InChIKeyYDYQKKMMYGEIAM-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (CID 18146222) is N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CN2CCSC2=O)c1.
What is the InChIKey of N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The InChIKey is YDYQKKMMYGEIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-14-12(18)9-3-2-4-10(7-9)15-11(17)8-16-5-6-20-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide has a molecular weight of 293.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 18146222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).