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

C15H18N2OS — CID 47125977

IUPAC1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H18N2OS/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18)
InChIKeyFQPGPGUFGRHYEQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.18
Rot. Bonds6

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

1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47125977) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47125977
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H18N2OS/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18)
InChIKeyFQPGPGUFGRHYEQ-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
N-(4-chlorobenzyl)-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726749
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-Methyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-4-yl)urea
CID 2832751
N''-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N-methylurea
CID 10562635
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
1-[1-(1-Benzothiophen-2-YL)ethyl]-3-ethyl-1-hydroxyurea
CID 10706745
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
CID 21469690
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea (CID 47125977) is 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCCCc1ccccc1)NCc1cccs1.
What is the InChIKey of 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is FQPGPGUFGRHYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18).
What are the key properties of 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea?
1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47125977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).