N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C19H27N3O4S — CID 4963625

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)noc2C)ccc1C
InChIInChI=1S/C19H27N3O4S/c1-6-22(7-2)27(24,25)18-12-16(9-8-13(18)3)20-19(23)11-10-17-14(4)21-26-15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,23)
InChIKeyXACQFUCQHGHPKN-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.20
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 4963625) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID4963625
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)noc2C)ccc1C
InChIInChI=1S/C19H27N3O4S/c1-6-22(7-2)27(24,25)18-12-16(9-8-13(18)3)20-19(23)11-10-17-14(4)21-26-15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,23)
InChIKeyXACQFUCQHGHPKN-UHFFFAOYSA-N
XLogP3.20
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 4963625) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)noc2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is XACQFUCQHGHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-6-22(7-2)27(24,25)18-12-16(9-8-13(18)3)20-19(23)11-10-17-14(4)21-26-15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 393.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 4963625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).