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

C19H19N3O5S — CID 655804

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-13(2)21-27-19(12)22-28(24,25)17-10-6-15(7-11-17)20-18(23)14-4-8-16(26-3)9-5-14/h4-11,22H,1-3H3,(H,20,23)
InChIKeyKFEMQBROBHMUBC-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.35
Rot. Bonds6

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide (PubChem CID 655804) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide
PubChem CID655804
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-13(2)21-27-19(12)22-28(24,25)17-10-6-15(7-11-17)20-18(23)14-4-8-16(26-3)9-5-14/h4-11,22H,1-3H3,(H,20,23)
InChIKeyKFEMQBROBHMUBC-UHFFFAOYSA-N
XLogP3.35
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.35
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-methoxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide (CID 655804) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
The InChIKey is KFEMQBROBHMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-13(2)21-27-19(12)22-28(24,25)17-10-6-15(7-11-17)20-18(23)14-4-8-16(26-3)9-5-14/h4-11,22H,1-3H3,(H,20,23).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide has a molecular weight of 401.44 g/mol, XLogP of 3.35, 6 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-methoxybenzamide is sourced from PubChem (CID 655804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).