1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea

C20H21N3OS — CID 121084597

IUPAC1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H21N3OS/c24-20(22-15-19-10-6-14-25-19)23(16-18-9-4-5-12-21-18)13-11-17-7-2-1-3-8-17/h1-10,12,14H,11,13,15-16H2,(H,22,24)
InChIKeyAMUSOIHLUGMWQL-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.10
Rot. Bonds7

About 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea

1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 121084597) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID121084597
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H21N3OS/c24-20(22-15-19-10-6-14-25-19)23(16-18-9-4-5-12-21-18)13-11-17-7-2-1-3-8-17/h1-10,12,14H,11,13,15-16H2,(H,22,24)
InChIKeyAMUSOIHLUGMWQL-UHFFFAOYSA-N
XLogP4.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42778763
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea (CID 121084597) is 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is AMUSOIHLUGMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(22-15-19-10-6-14-25-19)23(16-18-9-4-5-12-21-18)13-11-17-7-2-1-3-8-17/h1-10,12,14H,11,13,15-16H2,(H,22,24).
What are the key properties of 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 351.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 121084597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).