1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C18H24N2OS — CID 112820242

IUPAC1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCCCC(NC(=O)NC(C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-3-8-17(15-9-5-4-6-10-15)20-18(21)19-14(2)13-16-11-7-12-22-16/h4-7,9-12,14,17H,3,8,13H2,1-2H3,(H2,19,20,21)
InChIKeyDTXICWWIQADSRE-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.52
Rot. Bonds7

About 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 112820242) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID112820242
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCCCC(NC(=O)NC(C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-3-8-17(15-9-5-4-6-10-15)20-18(21)19-14(2)13-16-11-7-12-22-16/h4-7,9-12,14,17H,3,8,13H2,1-2H3,(H2,19,20,21)
InChIKeyDTXICWWIQADSRE-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
(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-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
2,3-dimethyl-4-oxo-4-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76994566

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 112820242) is 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CCCC(NC(=O)NC(C)Cc1cccs1)c1ccccc1.
What is the InChIKey of 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is DTXICWWIQADSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-8-17(15-9-5-4-6-10-15)20-18(21)19-14(2)13-16-11-7-12-22-16/h4-7,9-12,14,17H,3,8,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 316.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 112820242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).