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

C20H21N3O5S — CID 1181023

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C20H21N3O5S/c1-13(2)27-17-8-4-15(5-9-17)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(3)28-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKZTDGYQJURKYPD-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.82
Rot. Bonds7

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

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 1181023) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
PubChem CID1181023
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C20H21N3O5S/c1-13(2)27-17-8-4-15(5-9-17)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(3)28-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChIKeyKZTDGYQJURKYPD-UHFFFAOYSA-N
XLogP3.82
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (CID 1181023) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is KZTDGYQJURKYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-13(2)27-17-8-4-15(5-9-17)20(24)21-16-6-10-18(11-7-16)29(25,26)23-19-12-14(3)28-22-19/h4-13H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 415.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1181023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).