1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C20H23F3N4O4S — CID 55695199

IUPAC1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23F3N4O4S/c21-20(22,23)15-3-6-18(27-9-11-31-12-10-27)17(13-15)26-19(28)25-8-7-14-1-4-16(5-2-14)32(24,29)30/h1-6,13H,7-12H2,(H2,24,29,30)(H2,25,26,28)
InChIKeyGROFVCCCLGQKLU-UHFFFAOYSA-N
MW472.49 g/mol
LogP2.55
Rot. Bonds6

About 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55695199) has the molecular formula C20H23F3N4O4S and a molecular weight of 472.49 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55695199
Molecular FormulaC20H23F3N4O4S
Molecular Weight472.49 g/mol
Exact Mass472.14
IUPAC Name1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23F3N4O4S/c21-20(22,23)15-3-6-18(27-9-11-31-12-10-27)17(13-15)26-19(28)25-8-7-14-1-4-16(5-2-14)32(24,29)30/h1-6,13H,7-12H2,(H2,24,29,30)(H2,25,26,28)
InChIKeyGROFVCCCLGQKLU-UHFFFAOYSA-N
XLogP2.55
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 55695449
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3514571
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
1-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]thiourea
CID 4616601
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90145351
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 55695199) is 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1.
What is the InChIKey of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is GROFVCCCLGQKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-3-6-18(27-9-11-31-12-10-27)17(13-15)26-19(28)25-8-7-14-1-4-16(5-2-14)32(24,29)30/h1-6,13H,7-12H2,(H2,24,29,30)(H2,25,26,28).
What are the key properties of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 472.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55695199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).