N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide

C19H21N3O4S — CID 10475320

IUPACN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(NC(=O)C(C)C)cccc23)c1C
InChIInChI=1S/C19H21N3O4S/c1-11(2)18(23)20-16-9-5-8-15-14(16)7-6-10-17(15)27(24,25)22-19-12(3)13(4)21-26-19/h5-11,22H,1-4H3,(H,20,23)
InChIKeyKVQJIWCQZAHBSI-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.84
Rot. Bonds5

About N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide

N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide (PubChem CID 10475320) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide
PubChem CID10475320
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(NC(=O)C(C)C)cccc23)c1C
InChIInChI=1S/C19H21N3O4S/c1-11(2)18(23)20-16-9-5-8-15-14(16)7-6-10-17(15)27(24,25)22-19-12(3)13(4)21-26-19/h5-11,22H,1-4H3,(H,20,23)
InChIKeyKVQJIWCQZAHBSI-UHFFFAOYSA-N
XLogP3.84
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide (CID 10475320) is N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide is Cc1noc(NS(=O)(=O)c2cccc3c(NC(=O)C(C)C)cccc23)c1C.
What is the InChIKey of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide?
The InChIKey is KVQJIWCQZAHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-11(2)18(23)20-16-9-5-8-15-14(16)7-6-10-17(15)27(24,25)22-19-12(3)13(4)21-26-19/h5-11,22H,1-4H3,(H,20,23).
What are the key properties of N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide?
N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide has a molecular weight of 387.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]naphthalen-1-yl]-2-methylpropanamide is sourced from PubChem (CID 10475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).