(2-phenylthiophen-3-yl) N-tert-butylcarbamate

C15H17NO2S — CID 174585367

IUPAC(2-phenylthiophen-3-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccsc1-c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)16-14(17)18-12-9-10-19-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyBGWSLMHBRSNRQI-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.30
Rot. Bonds2

About (2-phenylthiophen-3-yl) N-tert-butylcarbamate

(2-phenylthiophen-3-yl) N-tert-butylcarbamate (PubChem CID 174585367) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2-phenylthiophen-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-phenylthiophen-3-yl) N-tert-butylcarbamate
PubChem CID174585367
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(2-phenylthiophen-3-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccsc1-c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)16-14(17)18-12-9-10-19-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyBGWSLMHBRSNRQI-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-phenylthiophen-3-yl) N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenylthiophen-3-yl) N-tert-butylcarbamate?
The IUPAC name of (2-phenylthiophen-3-yl) N-tert-butylcarbamate (CID 174585367) is (2-phenylthiophen-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-phenylthiophen-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-phenylthiophen-3-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccsc1-c1ccccc1.
What is the InChIKey of (2-phenylthiophen-3-yl) N-tert-butylcarbamate?
The InChIKey is BGWSLMHBRSNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,3)16-14(17)18-12-9-10-19-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17).
What are the key properties of (2-phenylthiophen-3-yl) N-tert-butylcarbamate?
(2-phenylthiophen-3-yl) N-tert-butylcarbamate has a molecular weight of 275.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylthiophen-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).