N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

C18H19N3O5S — CID 119072889

IUPACN-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCCn1ccccc1=O
InChIInChI=1S/C18H19N3O5S/c22-16(19-10-5-12-20-11-4-3-8-17(20)23)9-13-21-18(24)14-6-1-2-7-15(14)27(21,25)26/h1-4,6-8,11H,5,9-10,12-13H2,(H,19,22)
InChIKeyLJTPGTBAVHIBJD-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.59
Rot. Bonds7

About N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (PubChem CID 119072889) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
PubChem CID119072889
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCCn1ccccc1=O
InChIInChI=1S/C18H19N3O5S/c22-16(19-10-5-12-20-11-4-3-8-17(20)23)9-13-21-18(24)14-6-1-2-7-15(14)27(21,25)26/h1-4,6-8,11H,5,9-10,12-13H2,(H,19,22)
InChIKeyLJTPGTBAVHIBJD-UHFFFAOYSA-N
XLogP0.59
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide 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-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 31592558
4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid
CID 6473224
N-(3-methoxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3153885
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
CID 86855668
N-[1-(2,4,5-trimethylphenyl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 133220228
N-[1-(4-ethylphenyl)ethyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 133230741
N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 7600861
2-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600728
ethyl 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate
CID 691185
N-hydroxy-4-[[6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanoylamino]methyl]benzamide
CID 122186715

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The IUPAC name of N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CID 119072889) is N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCCn1ccccc1=O.
What is the InChIKey of N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The InChIKey is LJTPGTBAVHIBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-16(19-10-5-12-20-11-4-3-8-17(20)23)9-13-21-18(24)14-6-1-2-7-15(14)27(21,25)26/h1-4,6-8,11H,5,9-10,12-13H2,(H,19,22).
What are the key properties of N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has a molecular weight of 389.43 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 119072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).