N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide

C19H21N3O4S — CID 112990448

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C19H21N3O4S/c1-13(2)25-17-8-10-18(11-9-17)27(23,24)22-16-6-4-15(5-7-16)20-19-12-14(3)26-21-19/h4-13,22H,1-3H3,(H,20,21)
InChIKeyKRXCPMMAGLROAU-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112990448) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID112990448
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C19H21N3O4S/c1-13(2)25-17-8-10-18(11-9-17)27(23,24)22-16-6-4-15(5-7-16)20-19-12-14(3)26-21-19/h4-13,22H,1-3H3,(H,20,21)
InChIKeyKRXCPMMAGLROAU-UHFFFAOYSA-N
XLogP4.31
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
CID 112990402
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 42426801
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142676
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 112990448) is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is KRXCPMMAGLROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(2)25-17-8-10-18(11-9-17)27(23,24)22-16-6-4-15(5-7-16)20-19-12-14(3)26-21-19/h4-13,22H,1-3H3,(H,20,21).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112990448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).