N-(3-azidophenyl)thiophene-2-carboxamide

C11H8N4OS — CID 152539114

IUPACN-(3-azidophenyl)thiophene-2-carboxamide
SMILES[N-]=[N+]=Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H8N4OS/c12-15-14-9-4-1-3-8(7-9)13-11(16)10-5-2-6-17-10/h1-7H,(H,13,16)
InChIKeyYLDXLTGMUMOUPZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.94
Rot. Bonds3

About N-(3-azidophenyl)thiophene-2-carboxamide

N-(3-azidophenyl)thiophene-2-carboxamide (PubChem CID 152539114) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(3-azidophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-azidophenyl)thiophene-2-carboxamide
PubChem CID152539114
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC NameN-(3-azidophenyl)thiophene-2-carboxamide
SMILES[N-]=[N+]=Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C11H8N4OS/c12-15-14-9-4-1-3-8(7-9)13-11(16)10-5-2-6-17-10/h1-7H,(H,13,16)
InChIKeyYLDXLTGMUMOUPZ-UHFFFAOYSA-N
XLogP3.94
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537

Frequently Asked Questions

What is the IUPAC name of N-(3-azidophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-azidophenyl)thiophene-2-carboxamide (CID 152539114) is N-(3-azidophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-azidophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-azidophenyl)thiophene-2-carboxamide is [N-]=[N+]=Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(3-azidophenyl)thiophene-2-carboxamide?
The InChIKey is YLDXLTGMUMOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-15-14-9-4-1-3-8(7-9)13-11(16)10-5-2-6-17-10/h1-7H,(H,13,16).
What are the key properties of N-(3-azidophenyl)thiophene-2-carboxamide?
N-(3-azidophenyl)thiophene-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 152539114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).