N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide

C13H11N5O2S — CID 60788006

IUPACN-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1sccc1-n1cnnn1
InChIInChI=1S/C13H11N5O2S/c19-13(15-20-8-10-4-2-1-3-5-10)12-11(6-7-21-12)18-9-14-16-17-18/h1-7,9H,8H2,(H,15,19)
InChIKeyPZMDABJFCFZIIQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.59
Rot. Bonds5

About N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 60788006) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID60788006
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1sccc1-n1cnnn1
InChIInChI=1S/C13H11N5O2S/c19-13(15-20-8-10-4-2-1-3-5-10)12-11(6-7-21-12)18-9-14-16-17-18/h1-7,9H,8H2,(H,15,19)
InChIKeyPZMDABJFCFZIIQ-UHFFFAOYSA-N
XLogP1.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 60788006) is N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NOCc1ccccc1)c1sccc1-n1cnnn1.
What is the InChIKey of N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is PZMDABJFCFZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-13(15-20-8-10-4-2-1-3-5-10)12-11(6-7-21-12)18-9-14-16-17-18/h1-7,9H,8H2,(H,15,19).
What are the key properties of N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60788006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).