N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide

C20H23N3O4S — CID 5329855

IUPACN,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyIXAUVBHKVRFJHO-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.12
Rot. Bonds8

About N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide

N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide (PubChem CID 5329855) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
PubChem CID5329855
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyIXAUVBHKVRFJHO-UHFFFAOYSA-N
XLogP4.12
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide 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,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide (CID 5329855) is N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The InChIKey is IXAUVBHKVRFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 5329855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).