(3-phenyl-2-thiophen-2-ylphenyl) carbamate

C17H13NO2S — CID 154235566

IUPAC(3-phenyl-2-thiophen-2-ylphenyl) carbamate
SMILESNC(=O)Oc1cccc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C17H13NO2S/c18-17(19)20-14-9-4-8-13(12-6-2-1-3-7-12)16(14)15-10-5-11-21-15/h1-11H,(H2,18,19)
InChIKeyHREXIEUBXHMALG-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.54
Rot. Bonds3

About (3-phenyl-2-thiophen-2-ylphenyl) carbamate

(3-phenyl-2-thiophen-2-ylphenyl) carbamate (PubChem CID 154235566) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is (3-phenyl-2-thiophen-2-ylphenyl) carbamate.

Molecular Properties

Compound Name(3-phenyl-2-thiophen-2-ylphenyl) carbamate
PubChem CID154235566
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name(3-phenyl-2-thiophen-2-ylphenyl) carbamate
SMILESNC(=O)Oc1cccc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C17H13NO2S/c18-17(19)20-14-9-4-8-13(12-6-2-1-3-7-12)16(14)15-10-5-11-21-15/h1-11H,(H2,18,19)
InChIKeyHREXIEUBXHMALG-UHFFFAOYSA-N
XLogP4.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-thiophen-2-ylphenyl) carbamate?
The IUPAC name of (3-phenyl-2-thiophen-2-ylphenyl) carbamate (CID 154235566) is (3-phenyl-2-thiophen-2-ylphenyl) carbamate.
What is the SMILES notation for (3-phenyl-2-thiophen-2-ylphenyl) carbamate?
The canonical SMILES for (3-phenyl-2-thiophen-2-ylphenyl) carbamate is NC(=O)Oc1cccc(-c2ccccc2)c1-c1cccs1.
What is the InChIKey of (3-phenyl-2-thiophen-2-ylphenyl) carbamate?
The InChIKey is HREXIEUBXHMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c18-17(19)20-14-9-4-8-13(12-6-2-1-3-7-12)16(14)15-10-5-11-21-15/h1-11H,(H2,18,19).
What are the key properties of (3-phenyl-2-thiophen-2-ylphenyl) carbamate?
(3-phenyl-2-thiophen-2-ylphenyl) carbamate has a molecular weight of 295.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-thiophen-2-ylphenyl) carbamate is sourced from PubChem (CID 154235566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).