1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea

C16H20N2OS — CID 47195993

IUPAC1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-12-7-5-8-13(4-2)15(12)18-16(19)17-11-14-9-6-10-20-14/h5-10H,3-4,11H2,1-2H3,(H2,17,18,19)
InChIKeyNXVSALFWFSEXOW-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.19
Rot. Bonds5

About 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea

1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47195993) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47195993
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-12-7-5-8-13(4-2)15(12)18-16(19)17-11-14-9-6-10-20-14/h5-10H,3-4,11H2,1-2H3,(H2,17,18,19)
InChIKeyNXVSALFWFSEXOW-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 86789194
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea (CID 47195993) is 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea is CCc1cccc(CC)c1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is NXVSALFWFSEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-12-7-5-8-13(4-2)15(12)18-16(19)17-11-14-9-6-10-20-14/h5-10H,3-4,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 288.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47195993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).