1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea

C14H14N2O2S — CID 60765071

IUPAC1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccsc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(17)12-2-4-13(5-3-12)16-14(18)15-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,15,16,18)
InChIKeyVVTMOINAGJUDGI-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea

1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 60765071) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
PubChem CID60765071
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccsc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(17)12-2-4-13(5-3-12)16-14(18)15-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,15,16,18)
InChIKeyVVTMOINAGJUDGI-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
1-(3-acetyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(thiophen-3-ylmethyl)urea
CID 126577082
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
CID 104580537
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea (CID 60765071) is 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea is CC(=O)c1ccc(NC(=O)NCc2ccsc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is VVTMOINAGJUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(17)12-2-4-13(5-3-12)16-14(18)15-8-11-6-7-19-9-11/h2-7,9H,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea?
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 274.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 60765071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).