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

C16H20N2OS — CID 2726750

IUPAC1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-13(2)17-16(19)18(12-15-9-6-10-20-15)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,17,19)
InChIKeyOSRDAUXHEFGIJA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.87
Rot. Bonds5

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

1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea (PubChem CID 2726750) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
PubChem CID2726750
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-13(2)17-16(19)18(12-15-9-6-10-20-15)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,17,19)
InChIKeyOSRDAUXHEFGIJA-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-(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
N-dehydroxyzileuton
CID 10104880
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea (CID 2726750) is 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea is CC(C)NC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is OSRDAUXHEFGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(2)17-16(19)18(12-15-9-6-10-20-15)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 288.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 2726750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).