2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate

C13H14N2O2S — CID 54967170

IUPAC2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate
SMILESNc1cccc(NC(=O)OCCc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-3-1-4-11(9-10)15-13(16)17-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7,14H2,(H,15,16)
InChIKeyIPUNZSQNHQASEN-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.12
Rot. Bonds4

About 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate

2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate (PubChem CID 54967170) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate
PubChem CID54967170
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate
SMILESNc1cccc(NC(=O)OCCc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-3-1-4-11(9-10)15-13(16)17-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7,14H2,(H,15,16)
InChIKeyIPUNZSQNHQASEN-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
CID 154358903
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate?
The IUPAC name of 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate (CID 54967170) is 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate.
What is the SMILES notation for 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate?
The canonical SMILES for 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate is Nc1cccc(NC(=O)OCCc2cccs2)c1.
What is the InChIKey of 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate?
The InChIKey is IPUNZSQNHQASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-10-3-1-4-11(9-10)15-13(16)17-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7,14H2,(H,15,16).
What are the key properties of 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate?
2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate has a molecular weight of 262.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate is sourced from PubChem (CID 54967170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).