5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C14H13FN4OS — CID 134163038

IUPAC5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FN4OS/c15-11-3-1-10(2-4-11)7-8-17-14(20)13-6-5-12(21-13)9-18-19-16/h1-6H,7-9H2,(H,17,20)
InChIKeyVUABGIADXSNNAW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds6

About 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 134163038) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID134163038
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FN4OS/c15-11-3-1-10(2-4-11)7-8-17-14(20)13-6-5-12(21-13)9-18-19-16/h1-6H,7-9H2,(H,17,20)
InChIKeyVUABGIADXSNNAW-UHFFFAOYSA-N
XLogP3.67
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
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

5-(azidomethyl)-N-[2-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 134163067
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 82171998
5-(azidomethyl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
CID 134163020
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
5-(azidomethyl)-N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
CID 134163009
5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 134162978
5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide
CID 134162985
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 134163038) is 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is [N-]=[N+]=NCc1ccc(C(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is VUABGIADXSNNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c15-11-3-1-10(2-4-11)7-8-17-14(20)13-6-5-12(21-13)9-18-19-16/h1-6H,7-9H2,(H,17,20).
What are the key properties of 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 134163038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).