N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C15H13N3O4S — CID 663177

IUPACN-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccn1
InChIInChI=1S/C15H13N3O4S/c19-14(17-9-11-5-3-4-8-16-11)10-18-15(20)12-6-1-2-7-13(12)23(18,21)22/h1-8H,9-10H2,(H,17,19)
InChIKeyCQAXXSNZIZJRRH-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.54
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 663177) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID663177
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccn1
InChIInChI=1S/C15H13N3O4S/c19-14(17-9-11-5-3-4-8-16-11)10-18-15(20)12-6-1-2-7-13(12)23(18,21)22/h1-8H,9-10H2,(H,17,19)
InChIKeyCQAXXSNZIZJRRH-UHFFFAOYSA-N
XLogP0.54
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
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CID 711634
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
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4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
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3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
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N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
N-{2-[(phenylcarbonyl)amino]ethyl}pyridine-2-carboxamide
CID 2986667
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 1234749
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
4-(azepan-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2540422

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 663177) is N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is CQAXXSNZIZJRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-14(17-9-11-5-3-4-8-16-11)10-18-15(20)12-6-1-2-7-13(12)23(18,21)22/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 663177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).