1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea

C18H24F3N3O2S — CID 143074877

IUPAC1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(=O)C(F)(F)F)C2)s1
InChIInChI=1S/C18H24F3N3O2S/c1-12-7-8-15(27-12)22-17(26)24(13-5-3-2-4-6-13)14-9-10-23(11-14)16(25)18(19,20)21/h7-8,13-14H,2-6,9-11H2,1H3,(H,22,26)
InChIKeyGNRVFIPJSKEYFB-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.39
Rot. Bonds3

About 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea

1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea (PubChem CID 143074877) has the molecular formula C18H24F3N3O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
PubChem CID143074877
Molecular FormulaC18H24F3N3O2S
Molecular Weight403.47 g/mol
Exact Mass403.15
IUPAC Name1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(=O)C(F)(F)F)C2)s1
InChIInChI=1S/C18H24F3N3O2S/c1-12-7-8-15(27-12)22-17(26)24(13-5-3-2-4-6-13)14-9-10-23(11-14)16(25)18(19,20)21/h7-8,13-14H,2-6,9-11H2,1H3,(H,22,26)
InChIKeyGNRVFIPJSKEYFB-UHFFFAOYSA-N
XLogP4.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea 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-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950381
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-fluoro-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219648
1-(4-Fluorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 4037253
1-Phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3994335
4-[2-(methylamino)-2-oxoethyl]-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
CID 71862272
4-butanoyl-N-(5-methylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 75374869
1-(1-(3-Fluorophenyl)-5-oxopyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 16819862
1-((1-Phenylpyrrolidin-2-yl)methyl)-3-(thiophen-2-yl)urea
CID 72719297
1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230225
1-(1-(4-Fluorophenyl)-5-oxopyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 16805934

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea (CID 143074877) is 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea is Cc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(=O)C(F)(F)F)C2)s1.
What is the InChIKey of 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea?
The InChIKey is GNRVFIPJSKEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2S/c1-12-7-8-15(27-12)22-17(26)24(13-5-3-2-4-6-13)14-9-10-23(11-14)16(25)18(19,20)21/h7-8,13-14H,2-6,9-11H2,1H3,(H,22,26).
What are the key properties of 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea?
1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea has a molecular weight of 403.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 143074877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).