N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide

C15H20N4O5S2 — CID 155916239

IUPACN-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2ncc(CNS(C)(=O)=O)cc2C1
InChIInChI=1S/C15H20N4O5S2/c1-10-15(11(2)24-18-10)26(22,23)19-5-4-14-13(9-19)6-12(7-16-14)8-17-25(3,20)21/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyADYLOELEEOOAPQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.48
Rot. Bonds5

About N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide

N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide (PubChem CID 155916239) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
PubChem CID155916239
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC NameN-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2ncc(CNS(C)(=O)=O)cc2C1
InChIInChI=1S/C15H20N4O5S2/c1-10-15(11(2)24-18-10)26(22,23)19-5-4-14-13(9-19)6-12(7-16-14)8-17-25(3,20)21/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyADYLOELEEOOAPQ-UHFFFAOYSA-N
XLogP0.48
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
CID 53185454
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707261
3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
CID 92605838
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928158
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75462254
3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 133408070
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide (CID 155916239) is N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide is Cc1noc(C)c1S(=O)(=O)N1CCc2ncc(CNS(C)(=O)=O)cc2C1.
What is the InChIKey of N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide?
The InChIKey is ADYLOELEEOOAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-10-15(11(2)24-18-10)26(22,23)19-5-4-14-13(9-19)6-12(7-16-14)8-17-25(3,20)21/h6-7,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide?
N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide has a molecular weight of 400.48 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 155916239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).