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

C19H27N3O4S2 — CID 4963639

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2c(C)noc2C)ccc1C
InChIInChI=1S/C19H27N3O4S2/c1-6-22(7-2)28(24,25)18-10-16(9-8-13(18)3)20-19(23)12-27-11-17-14(4)21-26-15(17)5/h8-10H,6-7,11-12H2,1-5H3,(H,20,23)
InChIKeyHPARUZGDKUMMPP-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.50
Rot. Bonds9

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

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 4963639) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID4963639
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2c(C)noc2C)ccc1C
InChIInChI=1S/C19H27N3O4S2/c1-6-22(7-2)28(24,25)18-10-16(9-8-13(18)3)20-19(23)12-27-11-17-14(4)21-26-15(17)5/h8-10H,6-7,11-12H2,1-5H3,(H,20,23)
InChIKeyHPARUZGDKUMMPP-UHFFFAOYSA-N
XLogP3.50
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 4963639) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2c(C)noc2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is HPARUZGDKUMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-6-22(7-2)28(24,25)18-10-16(9-8-13(18)3)20-19(23)12-27-11-17-14(4)21-26-15(17)5/h8-10H,6-7,11-12H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 4963639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).