N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

C16H15N3O4S — CID 16803835

IUPACN-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)N2C(=O)c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C16H15N3O4S/c1-10-7-8-17-14(9-10)18-15(20)11(2)19-16(21)12-5-3-4-6-13(12)24(19,22)23/h3-9,11H,1-2H3,(H,17,18,20)
InChIKeyOKJGQMUEWZHTPX-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.56
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (PubChem CID 16803835) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
PubChem CID16803835
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)N2C(=O)c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C16H15N3O4S/c1-10-7-8-17-14(9-10)18-15(20)11(2)19-16(21)12-5-3-4-6-13(12)24(19,22)23/h3-9,11H,1-2H3,(H,17,18,20)
InChIKeyOKJGQMUEWZHTPX-UHFFFAOYSA-N
XLogP1.56
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-2-pyridinyl)-2-(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

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylpyridin-2-yl)propanamide
CID 2878113
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24983131
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(3-methyl-pyridin-2-yl)-propionamide
CID 4679028
6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
CID 71616988
(2S)-N-[(2S)-1-[(2S)-2-(benzenesulfonamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777109
N-[[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methyl]benzamide
CID 76902766
5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 73056761
4-(1-piperidinylsulfonyl)-N-(2-pyridinyl)benzamide
CID 862032
3-[(diethylamino)sulfonyl]-4-methyl-N-2-pyridinylbenzamide
CID 871491

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CID 16803835) is N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is Cc1ccnc(NC(=O)C(C)N2C(=O)c3ccccc3S2(=O)=O)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The InChIKey is OKJGQMUEWZHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-7-8-17-14(9-10)18-15(20)11(2)19-16(21)12-5-3-4-6-13(12)24(19,22)23/h3-9,11H,1-2H3,(H,17,18,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has a molecular weight of 345.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 16803835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).