1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea

C20H24F3N5O4S — CID 71506881

IUPAC1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
SMILESNS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2OC2CCCC2)cc1
InChIInChI=1S/C20H24F3N5O4S/c21-20(22,23)17-10-7-14(18(28-17)32-16-3-1-2-4-16)12-25-19(29)27-15-8-5-13(6-9-15)11-26-33(24,30)31/h5-10,16,26H,1-4,11-12H2,(H2,24,30,31)(H2,25,27,29)
InChIKeyXLWAZHAORBFZOB-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.04
Rot. Bonds8

About 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea

1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea (PubChem CID 71506881) has the molecular formula C20H24F3N5O4S and a molecular weight of 487.50 g/mol. Its IUPAC name is 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
PubChem CID71506881
Molecular FormulaC20H24F3N5O4S
Molecular Weight487.50 g/mol
Exact Mass487.15
IUPAC Name1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
SMILESNS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2OC2CCCC2)cc1
InChIInChI=1S/C20H24F3N5O4S/c21-20(22,23)17-10-7-14(18(28-17)32-16-3-1-2-4-16)12-25-19(29)27-15-8-5-13(6-9-15)11-26-33(24,30)31/h5-10,16,26H,1-4,11-12H2,(H2,24,30,31)(H2,25,27,29)
InChIKeyXLWAZHAORBFZOB-UHFFFAOYSA-N
XLogP3.04
TPSA135.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea with MolForge

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Related Compounds

tert-butyl N-[[4-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methylcarbamoylamino]phenyl]methylsulfamoyl]carbamate
CID 86679947
[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 139377131
1-(4-sulfamoylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24650999
2-(2-aminophenyl)-3-oxo-3-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methylamino]propane-1-sulfonic acid
CID 175280304
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
CID 47065616
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
1-[6-(azetidin-1-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71238511
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
1-benzyl-3-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]urea
CID 71050480
1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
CID 156824669
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea?
The IUPAC name of 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea (CID 71506881) is 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea.
What is the SMILES notation for 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea?
The canonical SMILES for 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea is NS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)nc2OC2CCCC2)cc1.
What is the InChIKey of 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea?
The InChIKey is XLWAZHAORBFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O4S/c21-20(22,23)17-10-7-14(18(28-17)32-16-3-1-2-4-16)12-25-19(29)27-15-8-5-13(6-9-15)11-26-33(24,30)31/h5-10,16,26H,1-4,11-12H2,(H2,24,30,31)(H2,25,27,29).
What are the key properties of 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea?
1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea has a molecular weight of 487.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopentyloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea is sourced from PubChem (CID 71506881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).