1-benzyl-3-(1-thiophen-2-ylpropyl)urea

C15H18N2OS — CID 47322594

IUPAC1-benzyl-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCc1ccccc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-2-13(14-9-6-10-19-14)17-15(18)16-11-12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H2,16,17,18)
InChIKeyAHHTYVWAPDRMBI-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.70
Rot. Bonds5

About 1-benzyl-3-(1-thiophen-2-ylpropyl)urea

1-benzyl-3-(1-thiophen-2-ylpropyl)urea (PubChem CID 47322594) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzyl-3-(1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-thiophen-2-ylpropyl)urea
PubChem CID47322594
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzyl-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCc1ccccc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-2-13(14-9-6-10-19-14)17-15(18)16-11-12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H2,16,17,18)
InChIKeyAHHTYVWAPDRMBI-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 55931237
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-benzyl-3-butan-2-ylurea
CID 10512480
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
(2S)-4-hydroxy-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826899
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86826124
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-benzyl-3-(1-thiophen-2-ylpropyl)urea (CID 47322594) is 1-benzyl-3-(1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(1-thiophen-2-ylpropyl)urea is CCC(NC(=O)NCc1ccccc1)c1cccs1.
What is the InChIKey of 1-benzyl-3-(1-thiophen-2-ylpropyl)urea?
The InChIKey is AHHTYVWAPDRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-13(14-9-6-10-19-14)17-15(18)16-11-12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(1-thiophen-2-ylpropyl)urea?
1-benzyl-3-(1-thiophen-2-ylpropyl)urea has a molecular weight of 274.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 47322594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).