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

C17H20N2O2S — CID 71465701

IUPACcyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCC1
InChIInChI=1S/C17H20N2O2S/c18-14-8-7-13(16-6-3-9-22-16)10-15(14)19-17(20)21-11-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11,18H2,(H,19,20)
InChIKeyNSNZLWGJNAGCHD-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.74
Rot. Bonds4

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

cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465701) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465701
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Namecyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCC1
InChIInChI=1S/C17H20N2O2S/c18-14-8-7-13(16-6-3-9-22-16)10-15(14)19-17(20)21-11-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11,18H2,(H,19,20)
InChIKeyNSNZLWGJNAGCHD-UHFFFAOYSA-N
XLogP4.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465701) is cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is NSNZLWGJNAGCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c18-14-8-7-13(16-6-3-9-22-16)10-15(14)19-17(20)21-11-12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11,18H2,(H,19,20).
What are the key properties of cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 316.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).