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

C21H23N3O5S — CID 1157527

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1C
InChIInChI=1S/C21H23N3O5S/c1-13(2)28-18-9-5-16(6-10-18)20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(3)15(4)23-29-21/h5-13,24H,1-4H3,(H,22,25)
InChIKeyGENUYQNIXNCRSZ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.13
Rot. Bonds7

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 1157527) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
PubChem CID1157527
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1C
InChIInChI=1S/C21H23N3O5S/c1-13(2)28-18-9-5-16(6-10-18)20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(3)15(4)23-29-21/h5-13,24H,1-4H3,(H,22,25)
InChIKeyGENUYQNIXNCRSZ-UHFFFAOYSA-N
XLogP4.13
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (CID 1157527) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is GENUYQNIXNCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-13(2)28-18-9-5-16(6-10-18)20(25)22-17-7-11-19(12-8-17)30(26,27)24-21-14(3)15(4)23-29-21/h5-13,24H,1-4H3,(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 429.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1157527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).