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

C16H18N2O2S — CID 71465700

IUPACcyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCC1
InChIInChI=1S/C16H18N2O2S/c17-13-7-6-12(15-5-2-8-21-15)9-14(13)18-16(19)20-10-11-3-1-4-11/h2,5-9,11H,1,3-4,10,17H2,(H,18,19)
InChIKeyDLYBEZHEZJYYAY-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.35
Rot. Bonds4

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

cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465700) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465700
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Namecyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCC1
InChIInChI=1S/C16H18N2O2S/c17-13-7-6-12(15-5-2-8-21-15)9-14(13)18-16(19)20-10-11-3-1-4-11/h2,5-9,11H,1,3-4,10,17H2,(H,18,19)
InChIKeyDLYBEZHEZJYYAY-UHFFFAOYSA-N
XLogP4.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.35
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 cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465700) is cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CCC1.
What is the InChIKey of cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is DLYBEZHEZJYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-13-7-6-12(15-5-2-8-21-15)9-14(13)18-16(19)20-10-11-3-1-4-11/h2,5-9,11H,1,3-4,10,17H2,(H,18,19).
What are the key properties of cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 302.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).