1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea

C16H20N2O2S — CID 16612933

IUPAC1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-5-7-14(8-6-13)17-16(19)18(9-10-20-2)12-15-4-3-11-21-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyDHAMSSBKVRPMGJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea

1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 16612933) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID16612933
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-5-7-14(8-6-13)17-16(19)18(9-10-20-2)12-15-4-3-11-21-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyDHAMSSBKVRPMGJ-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea (CID 16612933) is 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea is COCCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DHAMSSBKVRPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-5-7-14(8-6-13)17-16(19)18(9-10-20-2)12-15-4-3-11-21-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 16612933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).