N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide

C21H23N3O4S — CID 1107621

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O4S/c1-12-10-13(2)19(14(3)11-12)20(25)22-17-6-8-18(9-7-17)29(26,27)24-21-15(4)16(5)23-28-21/h6-11,24H,1-5H3,(H,22,25)
InChIKeyJUSWNKTYDDDXGN-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.27
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide (PubChem CID 1107621) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide
PubChem CID1107621
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O4S/c1-12-10-13(2)19(14(3)11-12)20(25)22-17-6-8-18(9-7-17)29(26,27)24-21-15(4)16(5)23-28-21/h6-11,24H,1-5H3,(H,22,25)
InChIKeyJUSWNKTYDDDXGN-UHFFFAOYSA-N
XLogP4.27
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide (CID 1107621) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide?
The InChIKey is JUSWNKTYDDDXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-12-10-13(2)19(14(3)11-12)20(25)22-17-6-8-18(9-7-17)29(26,27)24-21-15(4)16(5)23-28-21/h6-11,24H,1-5H3,(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 1107621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).