2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

C15H19N3O4S — CID 503706

IUPAC2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1
InChIInChI=1S/C15H19N3O4S/c1-10-9-13(17-22-10)18-23(20,21)12-7-5-11(6-8-12)16-14(19)15(2,3)4/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMEIIYOXONIBAK-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.77
Rot. Bonds4

About 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 503706) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID503706
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1
InChIInChI=1S/C15H19N3O4S/c1-10-9-13(17-22-10)18-23(20,21)12-7-5-11(6-8-12)16-14(19)15(2,3)4/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMEIIYOXONIBAK-UHFFFAOYSA-N
XLogP2.77
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 503706) is 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is HMEIIYOXONIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-9-13(17-22-10)18-23(20,21)12-7-5-11(6-8-12)16-14(19)15(2,3)4/h5-9H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 337.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).