1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea

C18H25N3OS — CID 78880248

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C18H25N3OS/c1-14(12-16-10-7-11-23-16)19-18(22)20-17(13-21(2)3)15-8-5-4-6-9-15/h4-11,14,17H,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyKWIMGLAPCJJFFF-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.28
Rot. Bonds7

About 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea

1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 78880248) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID78880248
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C18H25N3OS/c1-14(12-16-10-7-11-23-16)19-18(22)20-17(13-21(2)3)15-8-5-4-6-9-15/h4-11,14,17H,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyKWIMGLAPCJJFFF-UHFFFAOYSA-N
XLogP3.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea with MolForge

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Related Compounds

1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 112820242
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 78880248) is 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is KWIMGLAPCJJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-14(12-16-10-7-11-23-16)19-18(22)20-17(13-21(2)3)15-8-5-4-6-9-15/h4-11,14,17H,12-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 331.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 78880248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).