1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea

C12H20N2O2S — CID 111120759

IUPAC1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCCCC(O)CNC(=O)NCCc1cccs1
InChIInChI=1S/C12H20N2O2S/c1-2-4-10(15)9-14-12(16)13-7-6-11-5-3-8-17-11/h3,5,8,10,15H,2,4,6-7,9H2,1H3,(H2,13,14,16)
InChIKeyDZNBFGMLTGXQRB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.75
Rot. Bonds7

About 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea

1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 111120759) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID111120759
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCCCC(O)CNC(=O)NCCc1cccs1
InChIInChI=1S/C12H20N2O2S/c1-2-4-10(15)9-14-12(16)13-7-6-11-5-3-8-17-11/h3,5,8,10,15H,2,4,6-7,9H2,1H3,(H2,13,14,16)
InChIKeyDZNBFGMLTGXQRB-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
8-thiophen-2-yloctan-4-ol
CID 64516293
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea (CID 111120759) is 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea is CCCC(O)CNC(=O)NCCc1cccs1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is DZNBFGMLTGXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-4-10(15)9-14-12(16)13-7-6-11-5-3-8-17-11/h3,5,8,10,15H,2,4,6-7,9H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea?
1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 256.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 111120759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).