1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea

C15H18N2OS — CID 47133131

IUPAC1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCCc1cccc(NC(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-3-12-6-4-7-13(10-12)17-15(18)16-11(2)14-8-5-9-19-14/h4-11H,3H2,1-2H3,(H2,16,17,18)
InChIKeySDVMYOBXXSTSDN-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea

1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea (PubChem CID 47133131) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
PubChem CID47133131
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCCc1cccc(NC(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-3-12-6-4-7-13(10-12)17-15(18)16-11(2)14-8-5-9-19-14/h4-11H,3H2,1-2H3,(H2,16,17,18)
InChIKeySDVMYOBXXSTSDN-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
2-bromo-5-(1-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 115296717
[2-(3-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862498
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-[(3-ethylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086104
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
[2-(3-ethylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46818777
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea (CID 47133131) is 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea is CCc1cccc(NC(=O)NC(C)c2cccs2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is SDVMYOBXXSTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-12-6-4-7-13(10-12)17-15(18)16-11(2)14-8-5-9-19-14/h4-11H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea?
1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47133131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).