3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide

C14H20N4O5S2 — CID 113067318

IUPAC3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H20N4O5S2/c1-11-14(12(2)23-17-11)25(21,22)16-8-9-18(24(3,19)20)10-13-6-4-5-7-15-13/h4-7,16H,8-10H2,1-3H3
InChIKeyAPWJUYLCGJJGTJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.43
Rot. Bonds8

About 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 113067318) has the molecular formula C14H20N4O5S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID113067318
Molecular FormulaC14H20N4O5S2
Molecular Weight388.47 g/mol
Exact Mass388.09
IUPAC Name3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H20N4O5S2/c1-11-14(12(2)23-17-11)25(21,22)16-8-9-18(24(3,19)20)10-13-6-4-5-7-15-13/h4-7,16H,8-10H2,1-3H3
InChIKeyAPWJUYLCGJJGTJ-UHFFFAOYSA-N
XLogP0.43
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113072605
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113066614
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113059791
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide (CID 113067318) is 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is APWJUYLCGJJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S2/c1-11-14(12(2)23-17-11)25(21,22)16-8-9-18(24(3,19)20)10-13-6-4-5-7-15-13/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 388.47 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).