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

C18H22N2O2S — CID 71465703

IUPACcyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCCC1
InChIInChI=1S/C18H22N2O2S/c19-15-9-8-14(17-7-4-10-23-17)11-16(15)20-18(21)22-12-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12,19H2,(H,20,21)
InChIKeyWMDQPZZRYRTQQO-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.13
Rot. Bonds4

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

cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465703) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465703
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Namecyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCCC1
InChIInChI=1S/C18H22N2O2S/c19-15-9-8-14(17-7-4-10-23-17)11-16(15)20-18(21)22-12-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12,19H2,(H,20,21)
InChIKeyWMDQPZZRYRTQQO-UHFFFAOYSA-N
XLogP5.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465703) is cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is WMDQPZZRYRTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-15-9-8-14(17-7-4-10-23-17)11-16(15)20-18(21)22-12-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12,19H2,(H,20,21).
What are the key properties of cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 330.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).