N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide

C14H13N5O2S — CID 647259

IUPACN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1
InChIInChI=1S/C14H13N5O2S/c1-21-13-7-10(4-5-12(13)19-9-15-17-18-19)16-14(20)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,20)
InChIKeyIELRODMNRUHCOG-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.91
Rot. Bonds5

About N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 647259) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID647259
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1
InChIInChI=1S/C14H13N5O2S/c1-21-13-7-10(4-5-12(13)19-9-15-17-18-19)16-14(20)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,20)
InChIKeyIELRODMNRUHCOG-UHFFFAOYSA-N
XLogP1.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 647259) is N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide is COc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is IELRODMNRUHCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-13-7-10(4-5-12(13)19-9-15-17-18-19)16-14(20)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,20).
What are the key properties of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 647259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).