2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C18H22N2O2S — CID 71465702

IUPAC2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCCC1CCCC1
InChIInChI=1S/C18H22N2O2S/c19-15-8-7-14(17-6-3-11-23-17)12-16(15)20-18(21)22-10-9-13-4-1-2-5-13/h3,6-8,11-13H,1-2,4-5,9-10,19H2,(H,20,21)
InChIKeySQGDDCBQTZCWRH-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.13
Rot. Bonds5

About 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465702) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Name2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465702
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCCC1CCCC1
InChIInChI=1S/C18H22N2O2S/c19-15-8-7-14(17-6-3-11-23-17)12-16(15)20-18(21)22-10-9-13-4-1-2-5-13/h3,6-8,11-13H,1-2,4-5,9-10,19H2,(H,20,21)
InChIKeySQGDDCBQTZCWRH-UHFFFAOYSA-N
XLogP5.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate 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-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465702) is 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCCC1CCCC1.
What is the InChIKey of 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is SQGDDCBQTZCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-15-8-7-14(17-6-3-11-23-17)12-16(15)20-18(21)22-10-9-13-4-1-2-5-13/h3,6-8,11-13H,1-2,4-5,9-10,19H2,(H,20,21).
What are the key properties of 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 330.45 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).