N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide

C13H15N3O4S2 — CID 71933676

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C13H15N3O4S2/c1-4-21-11-6-5-10(7-14-11)13(17)16-22(18,19)12-8(2)15-20-9(12)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyDVZLECAEIJBHDX-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.92
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide (PubChem CID 71933676) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide
PubChem CID71933676
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C13H15N3O4S2/c1-4-21-11-6-5-10(7-14-11)13(17)16-22(18,19)12-8(2)15-20-9(12)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyDVZLECAEIJBHDX-UHFFFAOYSA-N
XLogP1.92
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-4-propan-2-ylbenzamide
CID 130428220
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86997801
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyridine-3-carboxamide
CID 22105644
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
CID 8617635
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87011350
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide (CID 71933676) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide is CCSc1ccc(C(=O)NS(=O)(=O)c2c(C)noc2C)cn1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide?
The InChIKey is DVZLECAEIJBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-4-21-11-6-5-10(7-14-11)13(17)16-22(18,19)12-8(2)15-20-9(12)3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-ethylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).