1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea

C12H20N2OS — CID 110870552

IUPAC1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-5-14(6-2)11(15)13-12(3,4)10-8-7-9-16-10/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyPDILTLHYIKYLAS-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.03
Rot. Bonds4

About 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea

1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea (PubChem CID 110870552) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
PubChem CID110870552
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-5-14(6-2)11(15)13-12(3,4)10-8-7-9-16-10/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyPDILTLHYIKYLAS-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
CID 119325785
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 119325779
2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119325781
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 71866753
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
N-propan-2-yl-2-thiophen-2-ylpropan-2-amine
CID 130725780
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
3-[(2S)-2-hydroxyhexan-2-yl]-1,1-bis(thiophen-2-ylmethyl)urea
CID 118627890
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea (CID 110870552) is 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea is CCN(CC)C(=O)NC(C)(C)c1cccs1.
What is the InChIKey of 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is PDILTLHYIKYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-14(6-2)11(15)13-12(3,4)10-8-7-9-16-10/h7-9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea?
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 240.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 110870552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).