N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide

C21H23FN2O5S — CID 30659876

IUPACN-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O5S/c1-15(2)13-21(25)23-19-14-18(30(26,27)24-9-11-28-12-10-24)7-8-20(19)29-17-5-3-16(22)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyLWOCSQOLNWPCBN-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide

N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide (PubChem CID 30659876) has the molecular formula C21H23FN2O5S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide
PubChem CID30659876
Molecular FormulaC21H23FN2O5S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC NameN-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O5S/c1-15(2)13-21(25)23-19-14-18(30(26,27)24-9-11-28-12-10-24)7-8-20(19)29-17-5-3-16(22)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyLWOCSQOLNWPCBN-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide 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

2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
CID 112811144
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077650
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)acetamide
CID 30994022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide (CID 30659876) is N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide?
The InChIKey is LWOCSQOLNWPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5S/c1-15(2)13-21(25)23-19-14-18(30(26,27)24-9-11-28-12-10-24)7-8-20(19)29-17-5-3-16(22)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide?
N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide has a molecular weight of 434.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 30659876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).