phenyl N-(1-thiophen-2-ylethyl)carbamate

C13H13NO2S — CID 60629917

IUPACphenyl N-(1-thiophen-2-ylethyl)carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c1-10(12-8-5-9-17-12)14-13(15)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)
InChIKeyPVLFAYWRGJRFGP-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.60
Rot. Bonds3

About phenyl N-(1-thiophen-2-ylethyl)carbamate

phenyl N-(1-thiophen-2-ylethyl)carbamate (PubChem CID 60629917) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is phenyl N-(1-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-thiophen-2-ylethyl)carbamate
PubChem CID60629917
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namephenyl N-(1-thiophen-2-ylethyl)carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c1-10(12-8-5-9-17-12)14-13(15)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)
InChIKeyPVLFAYWRGJRFGP-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(1-thiophen-2-ylethyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
CID 6710506
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
phenyl N-[(1S,2R)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
CID 7110779
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-thiophen-2-ylethyl)carbamate?
The IUPAC name of phenyl N-(1-thiophen-2-ylethyl)carbamate (CID 60629917) is phenyl N-(1-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for phenyl N-(1-thiophen-2-ylethyl)carbamate?
The canonical SMILES for phenyl N-(1-thiophen-2-ylethyl)carbamate is CC(NC(=O)Oc1ccccc1)c1cccs1.
What is the InChIKey of phenyl N-(1-thiophen-2-ylethyl)carbamate?
The InChIKey is PVLFAYWRGJRFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10(12-8-5-9-17-12)14-13(15)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15).
What are the key properties of phenyl N-(1-thiophen-2-ylethyl)carbamate?
phenyl N-(1-thiophen-2-ylethyl)carbamate has a molecular weight of 247.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 60629917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).