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

C13H14N2OS — CID 858197

IUPAC1-benzyl-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1cccs1
InChIInChI=1S/C13H14N2OS/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,14,15,16)
InChIKeyYJSLLQPFZIPAAB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.75
Rot. Bonds4

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

1-benzyl-3-(thiophen-2-ylmethyl)urea (PubChem CID 858197) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-benzyl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(thiophen-2-ylmethyl)urea
PubChem CID858197
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-benzyl-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCc1cccs1
InChIInChI=1S/C13H14N2OS/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,14,15,16)
InChIKeyYJSLLQPFZIPAAB-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tifacogin
CID 961320
((Thiophen-2-yl)methyl)urea
CID 2799110
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
N-Methyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-4-yl)urea
CID 2832751
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
N-hydroxy-N-{[3-(phenylthio)thien-2-yl]methyl}urea
CID 10707895
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(thiophen-2-ylmethyl)urea (CID 858197) is 1-benzyl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(thiophen-2-ylmethyl)urea is O=C(NCc1ccccc1)NCc1cccs1.
What is the InChIKey of 1-benzyl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is YJSLLQPFZIPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,14,15,16).
What are the key properties of 1-benzyl-3-(thiophen-2-ylmethyl)urea?
1-benzyl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 246.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 858197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).