N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline

C20H24N2O4S — CID 9264970

IUPACN-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline
SMILESC=C(C)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-16(2)15-21-19-14-18(27(23,24)22-10-12-25-13-11-22)8-9-20(19)26-17-6-4-3-5-7-17/h3-9,14,21H,1,10-13,15H2,2H3
InChIKeyRDMGAYBLJXYYCS-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.49
Rot. Bonds7

About N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline

N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline (PubChem CID 9264970) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline
PubChem CID9264970
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline
SMILESC=C(C)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-16(2)15-21-19-14-18(27(23,24)22-10-12-25-13-11-22)8-9-20(19)26-17-6-4-3-5-7-17/h3-9,14,21H,1,10-13,15H2,2H3
InChIKeyRDMGAYBLJXYYCS-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline 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

Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
CID 66804
5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
3-amino-N,N-diethyl-4-(propan-2-yloxy)benzene-1-sulfonamide
CID 3773327
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354536
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The IUPAC name of N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline (CID 9264970) is N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline.
What is the SMILES notation for N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The canonical SMILES for N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline is C=C(C)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The InChIKey is RDMGAYBLJXYYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16(2)15-21-19-14-18(27(23,24)22-10-12-25-13-11-22)8-9-20(19)26-17-6-4-3-5-7-17/h3-9,14,21H,1,10-13,15H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline has a molecular weight of 388.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-5-morpholin-4-ylsulfonyl-2-phenoxyaniline is sourced from PubChem (CID 9264970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).