N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide

C16H16N6O4S — CID 113051812

IUPACN-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)cc1
InChIInChI=1S/C16H16N6O4S/c1-10-9-16(21-26-10)18-14-7-8-15(20-19-14)22-27(24,25)13-5-3-12(4-6-13)17-11(2)23/h3-9H,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyXPRSQKVXODCUIN-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 113051812) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID113051812
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC NameN-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)cc1
InChIInChI=1S/C16H16N6O4S/c1-10-9-16(21-26-10)18-14-7-8-15(20-19-14)22-27(24,25)13-5-3-12(4-6-13)17-11(2)23/h3-9H,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyXPRSQKVXODCUIN-UHFFFAOYSA-N
XLogP2.28
TPSA139.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051818
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
2,2,3,3-tetramethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 25035324
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide (CID 113051812) is N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)nn2)cc1.
What is the InChIKey of N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is XPRSQKVXODCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c1-10-9-16(21-26-10)18-14-7-8-15(20-19-14)22-27(24,25)13-5-3-12(4-6-13)17-11(2)23/h3-9H,1-2H3,(H,17,23)(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 388.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113051812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).