N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide

C15H17N3O2S — CID 71465855

IUPACN-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c16-12-4-3-11(14-2-1-9-21-14)10-13(12)17-15(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,16H2,(H,17,19)
InChIKeyQSHJEWGPAMBTEV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.86
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide (PubChem CID 71465855) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide
PubChem CID71465855
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c16-12-4-3-11(14-2-1-9-21-14)10-13(12)17-15(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,16H2,(H,17,19)
InChIKeyQSHJEWGPAMBTEV-UHFFFAOYSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.86
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 N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide (CID 71465855) is N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CCOCC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide?
The InChIKey is QSHJEWGPAMBTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-12-4-3-11(14-2-1-9-21-14)10-13(12)17-15(19)18-5-7-20-8-6-18/h1-4,9-10H,5-8,16H2,(H,17,19).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 71465855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).