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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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).