ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate

C14H15NO2S — CID 13090015

IUPACethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)15-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13H,2H2,1H3,(H,15,16)
InChIKeyGJKQQJCZGGPEJC-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.58
Rot. Bonds4

About ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate

ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate (PubChem CID 13090015) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
PubChem CID13090015
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)15-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13H,2H2,1H3,(H,15,16)
InChIKeyGJKQQJCZGGPEJC-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
CID 9286941
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554

Frequently Asked Questions

What is the IUPAC name of ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate?
The IUPAC name of ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate (CID 13090015) is ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate is CCOC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate?
The InChIKey is GJKQQJCZGGPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-14(16)15-13(12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,13H,2H2,1H3,(H,15,16).
What are the key properties of ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate?
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate has a molecular weight of 261.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 13090015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).