1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea

C15H18N2OS — CID 4665245

IUPAC1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2cccs2)cc1C
InChIInChI=1S/C15H18N2OS/c1-11-5-6-13(10-12(11)2)17-15(18)16-8-7-14-4-3-9-19-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyCTADGTDZNOTEQR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.73
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea

1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 4665245) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID4665245
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2cccs2)cc1C
InChIInChI=1S/C15H18N2OS/c1-11-5-6-13(10-12(11)2)17-15(18)16-8-7-14-4-3-9-19-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyCTADGTDZNOTEQR-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095
1-(3,4-dimethylphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575158
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000907
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea (CID 4665245) is 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea is Cc1ccc(NC(=O)NCCc2cccs2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is CTADGTDZNOTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-5-6-13(10-12(11)2)17-15(18)16-8-7-14-4-3-9-19-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 4665245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).