1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea

C16H16N2O2S — CID 90613154

IUPAC1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)NC1CC1
InChIInChI=1S/C16H16N2O2S/c19-15(11-4-2-1-3-5-11)14-9-8-13(21-14)10-17-16(20)18-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H2,17,18,20)
InChIKeyBCDKDZNKKMKVFU-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.94
Rot. Bonds5

About 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea

1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea (PubChem CID 90613154) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
PubChem CID90613154
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)NC1CC1
InChIInChI=1S/C16H16N2O2S/c19-15(11-4-2-1-3-5-11)14-9-8-13(21-14)10-17-16(20)18-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H2,17,18,20)
InChIKeyBCDKDZNKKMKVFU-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea?
The IUPAC name of 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea (CID 90613154) is 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea?
The canonical SMILES for 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea is O=C(NCc1ccc(C(=O)c2ccccc2)s1)NC1CC1.
What is the InChIKey of 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea?
The InChIKey is BCDKDZNKKMKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(11-4-2-1-3-5-11)14-9-8-13(21-14)10-17-16(20)18-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H2,17,18,20).
What are the key properties of 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea?
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea has a molecular weight of 300.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea is sourced from PubChem (CID 90613154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).