1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea

C17H20N2O2S — CID 71788850

IUPAC1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H20N2O2S/c20-16(18-11-15-7-4-10-22-15)19-12-17(21,14-8-9-14)13-5-2-1-3-6-13/h1-7,10,14,21H,8-9,11-12H2,(H2,18,19,20)
InChIKeyFTWKOYLBXWWRCI-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea

1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 71788850) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID71788850
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H20N2O2S/c20-16(18-11-15-7-4-10-22-15)19-12-17(21,14-8-9-14)13-5-2-1-3-6-13/h1-7,10,14,21H,8-9,11-12H2,(H2,18,19,20)
InChIKeyFTWKOYLBXWWRCI-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea (CID 71788850) is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is FTWKOYLBXWWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(18-11-15-7-4-10-22-15)19-12-17(21,14-8-9-14)13-5-2-1-3-6-13/h1-7,10,14,21H,8-9,11-12H2,(H2,18,19,20).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 316.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).